N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide

C20H23N3O2 — CID 38420989

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(CN(C)C)cc3)[nH]c2c1
InChIInChI=1S/C20H23N3O2/c1-23(2)13-15-6-4-14(5-7-15)12-21-20(24)19-10-16-8-9-17(25-3)11-18(16)22-19/h4-11,22H,12-13H2,1-3H3,(H,21,24)
InChIKeyVNACVLJFTJMOSL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.17
Rot. Bonds6

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 38420989) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID38420989
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(CN(C)C)cc3)[nH]c2c1
InChIInChI=1S/C20H23N3O2/c1-23(2)13-15-6-4-14(5-7-15)12-21-20(24)19-10-16-8-9-17(25-3)11-18(16)22-19/h4-11,22H,12-13H2,1-3H3,(H,21,24)
InChIKeyVNACVLJFTJMOSL-UHFFFAOYSA-N
XLogP3.17
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 39983983
N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55953711
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34505493
N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 89218665
6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
CID 90596329

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide (CID 38420989) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3ccc(CN(C)C)cc3)[nH]c2c1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is VNACVLJFTJMOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23(2)13-15-6-4-14(5-7-15)12-21-20(24)19-10-16-8-9-17(25-3)11-18(16)22-19/h4-11,22H,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 38420989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).