N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide

C20H23N3O2 — CID 70199870

IUPACN-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(O)c(CN(C)C)c2c1C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-13-18(20(25)21-11-14-7-5-4-6-8-14)19-15(12-23(2)3)17(24)10-9-16(19)22-13/h4-10,22,24H,11-12H2,1-3H3,(H,21,25)
InChIKeyOIALJFHBEOXQRD-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.17
Rot. Bonds5

About N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide

N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide (PubChem CID 70199870) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide
PubChem CID70199870
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(O)c(CN(C)C)c2c1C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-13-18(20(25)21-11-14-7-5-4-6-8-14)19-15(12-23(2)3)17(24)10-9-16(19)22-13/h4-10,22,24H,11-12H2,1-3H3,(H,21,25)
InChIKeyOIALJFHBEOXQRD-UHFFFAOYSA-N
XLogP3.17
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 70166553
(4-fluorophenyl)methyl 4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54079579
2-(benzylcarbamoyl)-3,6-dihydroxybenzoic acid
CID 139355426
benzylcarbamic acid;N,N-dimethylformamide
CID 175901151
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31908743
N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide
CID 75415661
2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835901
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110851693
N-benzyl-5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540210
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 46401265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide (CID 70199870) is N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccc(O)c(CN(C)C)c2c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide?
The InChIKey is OIALJFHBEOXQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-18(20(25)21-11-14-7-5-4-6-8-14)19-15(12-23(2)3)17(24)10-9-16(19)22-13/h4-10,22,24H,11-12H2,1-3H3,(H,21,25).
What are the key properties of N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide?
N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 70199870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).