N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide

C19H20N2O — CID 146122633

IUPACN,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cccc3c2ccn3C)c1
InChIInChI=1S/C19H20N2O/c1-14-6-4-7-15(12-14)13-21(3)19(22)17-8-5-9-18-16(17)10-11-20(18)2/h4-12H,13H2,1-3H3
InChIKeyVUKNQLOPVBVZCN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.76
Rot. Bonds3

About N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide

N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide (PubChem CID 146122633) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide
PubChem CID146122633
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cccc3c2ccn3C)c1
InChIInChI=1S/C19H20N2O/c1-14-6-4-7-15(12-14)13-21(3)19(22)17-8-5-9-18-16(17)10-11-20(18)2/h4-12H,13H2,1-3H3
InChIKeyVUKNQLOPVBVZCN-UHFFFAOYSA-N
XLogP3.76
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide
CID 146122582
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126648643
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767
methyl 3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoate
CID 115174419
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 105385956
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide (CID 146122633) is N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide is Cc1cccc(CN(C)C(=O)c2cccc3c2ccn3C)c1.
What is the InChIKey of N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide?
The InChIKey is VUKNQLOPVBVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-6-4-7-15(12-14)13-21(3)19(22)17-8-5-9-18-16(17)10-11-20(18)2/h4-12H,13H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide?
N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide is sourced from PubChem (CID 146122633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).