2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide

C23H26N2O2 — CID 15605414

IUPAC2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CC2CC2)cc1Nc1ccc2c(c1)CC(C)(C)C2=O
InChIInChI=1S/C23H26N2O2/c1-14-4-7-18(25-21(26)10-15-5-6-15)12-20(14)24-17-8-9-19-16(11-17)13-23(2,3)22(19)27/h4,7-9,11-12,15,24H,5-6,10,13H2,1-3H3,(H,25,26)
InChIKeyHLFZCTSKEVVZCT-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.24
Rot. Bonds5

About 2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide

2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide (PubChem CID 15605414) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide
PubChem CID15605414
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CC2CC2)cc1Nc1ccc2c(c1)CC(C)(C)C2=O
InChIInChI=1S/C23H26N2O2/c1-14-4-7-18(25-21(26)10-15-5-6-15)12-20(14)24-17-8-9-19-16(11-17)13-23(2,3)22(19)27/h4,7-9,11-12,15,24H,5-6,10,13H2,1-3H3,(H,25,26)
InChIKeyHLFZCTSKEVVZCT-UHFFFAOYSA-N
XLogP5.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119725801
N-(3-acetamido-4-methylphenyl)-2-(azetidin-3-yl)acetamide
CID 64618777
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851
N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110859269
N-(6-bromonaphthalen-2-yl)-2-cyclopropylacetamide
CID 81004000
2-(cyclopropylmethylamino)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865177
2-cyclobutyl-N-(4-methyl-3-pyridin-2-ylphenyl)acetamide
CID 169175816

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide (CID 15605414) is 2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CC2CC2)cc1Nc1ccc2c(c1)CC(C)(C)C2=O.
What is the InChIKey of 2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide?
The InChIKey is HLFZCTSKEVVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-14-4-7-18(25-21(26)10-15-5-6-15)12-20(14)24-17-8-9-19-16(11-17)13-23(2,3)22(19)27/h4,7-9,11-12,15,24H,5-6,10,13H2,1-3H3,(H,25,26).
What are the key properties of 2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide?
2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-[(2,2-dimethyl-1-oxo-3H-inden-5-yl)amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 15605414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).