N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide

C20H23N3O2 — CID 70739975

IUPACN-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NCc1cccc(N(C)C)c1)n2C
InChIInChI=1S/C20H23N3O2/c1-22(2)16-7-5-6-14(10-16)13-21-20(24)19-12-15-11-17(25-4)8-9-18(15)23(19)3/h5-12H,13H2,1-4H3,(H,21,24)
InChIKeyBKKNIOZOWTUEOD-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.18
Rot. Bonds5

About N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide

N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide (PubChem CID 70739975) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
PubChem CID70739975
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NCc1cccc(N(C)C)c1)n2C
InChIInChI=1S/C20H23N3O2/c1-22(2)16-7-5-6-14(10-16)13-21-20(24)19-12-15-11-17(25-4)8-9-18(15)23(19)3/h5-12H,13H2,1-4H3,(H,21,24)
InChIKeyBKKNIOZOWTUEOD-UHFFFAOYSA-N
XLogP3.18
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
CID 56721773
N-(3-acetamidophenyl)-5-methoxy-1-methylindole-2-carboxamide
CID 110861255
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
1-[[3-(dimethylamino)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111182554
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenoxy)indole-2-carboxamide
CID 51362396
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70735811
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70719444
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide
CID 70756083
5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide
CID 70736168
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide (CID 70739975) is N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NCc1cccc(N(C)C)c1)n2C.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide?
The InChIKey is BKKNIOZOWTUEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22(2)16-7-5-6-14(10-16)13-21-20(24)19-12-15-11-17(25-4)8-9-18(15)23(19)3/h5-12H,13H2,1-4H3,(H,21,24).
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide?
N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 70739975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).