N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide

C15H20N2O3 — CID 46450422

IUPACN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)CNC(=O)C2CCCC2)c(O)c1
InChIInChI=1S/C15H20N2O3/c1-10-6-7-12(13(18)8-10)17-14(19)9-16-15(20)11-4-2-3-5-11/h6-8,11,18H,2-5,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyMWWHJOZXOSQFSL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.95
Rot. Bonds4

About N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide

N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 46450422) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
PubChem CID46450422
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)CNC(=O)C2CCCC2)c(O)c1
InChIInChI=1S/C15H20N2O3/c1-10-6-7-12(13(18)8-10)17-14(19)9-16-15(20)11-4-2-3-5-11/h6-8,11,18H,2-5,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyMWWHJOZXOSQFSL-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46429748
4-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-methylbenzoate
CID 6957790
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547362
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787565
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688939
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 112738572
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide (CID 46450422) is N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide is Cc1ccc(NC(=O)CNC(=O)C2CCCC2)c(O)c1.
What is the InChIKey of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is MWWHJOZXOSQFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-7-12(13(18)8-10)17-14(19)9-16-15(20)11-4-2-3-5-11/h6-8,11,18H,2-5,9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide?
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 46450422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).