4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide

C98H109N9O6 — CID 159636118

IUPAC4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide
SMILESC.CCC(=O)c1ccc(CC2CCC[C@@H]2COC)cc1.CNC(=O)c1ccc(Cn2c(C)cc3ccccc32)cc1.CNC(=O)c1ccc(Cn2cc(CCN(C)C)c3ccccc32)cc1.CNC(=O)c1ccc(Cn2cc(Cc3ccccc3)c3ccccc32)cc1.CNC(=O)c1ccc(Cn2ccc3ccccc32)cc1
InChIInChI=1S/C24H22N2O.C21H25N3O.C18H18N2O.C17H16N2O.C17H24O2.CH4/c1-25-24(27)20-13-11-19(12-14-20)16-26-17-21(15-18-7-3-2-4-8-18)22-9-5-6-10-23(22)26;1-22-21(25)17-10-8-16(9-11-17)14-24-15-18(12-13-23(2)3)19-6-4-5-7-20(19)24;1-13-11-16-5-3-4-6-17(16)20(13)12-14-7-9-15(10-8-14)18(21)19-2;1-18-17(20)15-8-6-13(7-9-15)12-19-11-10-14-4-2-3-5-16(14)19;1-3-17(18)14-9-7-13(8-10-14)11-15-5-4-6-16(15)12-19-2;/h2-14,17H,15-16H2,1H3,(H,25,27);4-11,15H,12-14H2,1-3H3,(H,22,25);3-11H,12H2,1-2H3,(H,19,21);2-11H,12H2,1H3,(H,18,20);7-10,15-16H,3-6,11-12H2,1-2H3;1H4/t;;;;15?,16-;/m....1./s1
InChIKeyMPTMXGKKWXQTLK-RELWXZBXSA-N
MW1509.01 g/mol
LogP18.72
Rot. Bonds23

About 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide

4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide (PubChem CID 159636118) has the molecular formula C98H109N9O6 and a molecular weight of 1509.01 g/mol. Its IUPAC name is 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide
PubChem CID159636118
Molecular FormulaC98H109N9O6
Molecular Weight1509.01 g/mol
Exact Mass1507.85
IUPAC Name4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide
SMILESC.CCC(=O)c1ccc(CC2CCC[C@@H]2COC)cc1.CNC(=O)c1ccc(Cn2c(C)cc3ccccc32)cc1.CNC(=O)c1ccc(Cn2cc(CCN(C)C)c3ccccc32)cc1.CNC(=O)c1ccc(Cn2cc(Cc3ccccc3)c3ccccc32)cc1.CNC(=O)c1ccc(Cn2ccc3ccccc32)cc1
InChIInChI=1S/C24H22N2O.C21H25N3O.C18H18N2O.C17H16N2O.C17H24O2.CH4/c1-25-24(27)20-13-11-19(12-14-20)16-26-17-21(15-18-7-3-2-4-8-18)22-9-5-6-10-23(22)26;1-22-21(25)17-10-8-16(9-11-17)14-24-15-18(12-13-23(2)3)19-6-4-5-7-20(19)24;1-13-11-16-5-3-4-6-17(16)20(13)12-14-7-9-15(10-8-14)18(21)19-2;1-18-17(20)15-8-6-13(7-9-15)12-19-11-10-14-4-2-3-5-16(14)19;1-3-17(18)14-9-7-13(8-10-14)11-15-5-4-6-16(15)12-19-2;/h2-14,17H,15-16H2,1H3,(H,25,27);4-11,15H,12-14H2,1-3H3,(H,22,25);3-11H,12H2,1-2H3,(H,19,21);2-11H,12H2,1H3,(H,18,20);7-10,15-16H,3-6,11-12H2,1-2H3;1H4/t;;;;15?,16-;/m....1./s1
InChIKeyMPTMXGKKWXQTLK-RELWXZBXSA-N
XLogP18.72
TPSA165.66 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001509.01
LogP ≤ 518.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide with MolForge

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Related Compounds

4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide
CID 172636522
4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
CID 176898102
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 53474780
1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
CID 90075227
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide
CID 23513989
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054
methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate
CID 41108918
N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide
CID 30858933
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide
CID 166530374

Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide?
The IUPAC name of 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide (CID 159636118) is 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide?
The canonical SMILES for 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide is C.CCC(=O)c1ccc(CC2CCC[C@@H]2COC)cc1.CNC(=O)c1ccc(Cn2c(C)cc3ccccc32)cc1.CNC(=O)c1ccc(Cn2cc(CCN(C)C)c3ccccc32)cc1.CNC(=O)c1ccc(Cn2cc(Cc3ccccc3)c3ccccc32)cc1.CNC(=O)c1ccc(Cn2ccc3ccccc32)cc1.
What is the InChIKey of 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide?
The InChIKey is MPTMXGKKWXQTLK-RELWXZBXSA-N. The full InChI is InChI=1S/C24H22N2O.C21H25N3O.C18H18N2O.C17H16N2O.C17H24O2.CH4/c1-25-24(27)20-13-11-19(12-14-20)16-26-17-21(15-18-7-3-2-4-8-18)22-9-5-6-10-23(22)26;1-22-21(25)17-10-8-16(9-11-17)14-24-15-18(12-13-23(2)3)19-6-4-5-7-20(19)24;1-13-11-16-5-3-4-6-17(16)20(13)12-14-7-9-15(10-8-14)18(21)19-2;1-18-17(20)15-8-6-13(7-9-15)12-19-11-10-14-4-2-3-5-16(14)19;1-3-17(18)14-9-7-13(8-10-14)11-15-5-4-6-16(15)12-19-2;/h2-14,17H,15-16H2,1H3,(H,25,27);4-11,15H,12-14H2,1-3H3,(H,22,25);3-11H,12H2,1-2H3,(H,19,21);2-11H,12H2,1H3,(H,18,20);7-10,15-16H,3-6,11-12H2,1-2H3;1H4/t;;;;15?,16-;/m....1./s1.
What are the key properties of 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide?
4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide has a molecular weight of 1509.01 g/mol, XLogP of 18.72, 23 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide is sourced from PubChem (CID 159636118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).