N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide

C19H28N2O3 — CID 111538466

IUPACN-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)CC2(O)CCCC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-13-7-8-14(11-15(13)21-17(23)18(2,3)4)20-16(22)12-19(24)9-5-6-10-19/h7-8,11,24H,5-6,9-10,12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyAZMBCOXBHPXFIK-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.61
Rot. Bonds4

About N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide

N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 111538466) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide
PubChem CID111538466
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)CC2(O)CCCC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-13-7-8-14(11-15(13)21-17(23)18(2,3)4)20-16(22)12-19(24)9-5-6-10-19/h7-8,11,24H,5-6,9-10,12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyAZMBCOXBHPXFIK-UHFFFAOYSA-N
XLogP3.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
CID 119780748
7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
CID 119780750
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide
CID 86938339
N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111331778
N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537291
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015790
2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 111539254
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
CID 119321965

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide (CID 111538466) is N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(NC(=O)CC2(O)CCCC2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is AZMBCOXBHPXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-7-8-14(11-15(13)21-17(23)18(2,3)4)20-16(22)12-19(24)9-5-6-10-19/h7-8,11,24H,5-6,9-10,12H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide?
N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 332.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 111538466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).