1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide

C16H22N2O3 — CID 110890174

IUPAC1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2(O)CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-5-7-13(8-6-12)17-14(19)11-18(2)15(20)16(21)9-3-4-10-16/h5-8,21H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyDEGKZTYEFBOHFT-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.70
Rot. Bonds4

About 1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide

1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 110890174) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID110890174
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2(O)CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-5-7-13(8-6-12)17-14(19)11-18(2)15(20)16(21)9-3-4-10-16/h5-8,21H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyDEGKZTYEFBOHFT-UHFFFAOYSA-N
XLogP1.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 115669668
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
1-(4-bromophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 38007931
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 62006539
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide
CID 55666606
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2583554
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979
2-[methyl-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(4-methylphenyl)acetamide
CID 8742483
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
(2R)-2-(azepan-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8895935
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 110890174) is 1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)C2(O)CCCC2)cc1.
What is the InChIKey of 1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is DEGKZTYEFBOHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-5-7-13(8-6-12)17-14(19)11-18(2)15(20)16(21)9-3-4-10-16/h5-8,21H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of 1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110890174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).