1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide

C22H25N3O2 — CID 55882334

IUPAC1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2cc3ccccc3n2C)c1
InChIInChI=1S/C22H25N3O2/c1-4-15(2)21(26)24-18-10-7-8-16(12-18)14-23-22(27)20-13-17-9-5-6-11-19(17)25(20)3/h5-13,15H,4,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyZMKHGRPOAAZEAQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.09
Rot. Bonds6

About 1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide

1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide (PubChem CID 55882334) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide
PubChem CID55882334
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2cc3ccccc3n2C)c1
InChIInChI=1S/C22H25N3O2/c1-4-15(2)21(26)24-18-10-7-8-16(12-18)14-23-22(27)20-13-17-9-5-6-11-19(17)25(20)3/h5-13,15H,4,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyZMKHGRPOAAZEAQ-UHFFFAOYSA-N
XLogP4.09
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695
3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55749646
4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 119716862
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78882027
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
2-methyl-N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]butanamide
CID 111125482
2-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]-5-methylsulfanylbenzamide
CID 55749295
N-[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119716873
2-methyl-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]butanamide
CID 55749581
N-[3-[[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-methylbutanamide;hydroiodide
CID 110943285
2-methyl-N-[3-[[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]butanamide
CID 55749580

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide (CID 55882334) is 1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide is CCC(C)C(=O)Nc1cccc(CNC(=O)c2cc3ccccc3n2C)c1.
What is the InChIKey of 1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide?
The InChIKey is ZMKHGRPOAAZEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-15(2)21(26)24-18-10-7-8-16(12-18)14-23-22(27)20-13-17-9-5-6-11-19(17)25(20)3/h5-13,15H,4,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide?
1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 55882334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).