1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C18H24N2O4 — CID 56816659

IUPAC1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC(=O)Nc1c(C)ccc(NC(=O)CC2(C(=O)O)CCCC2)c1C
InChIInChI=1S/C18H24N2O4/c1-11-6-7-14(12(2)16(11)19-13(3)21)20-15(22)10-18(17(23)24)8-4-5-9-18/h6-7H,4-5,8-10H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyUVXVOJDNVOFATJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.24
Rot. Bonds5

About 1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 56816659) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID56816659
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC(=O)Nc1c(C)ccc(NC(=O)CC2(C(=O)O)CCCC2)c1C
InChIInChI=1S/C18H24N2O4/c1-11-6-7-14(12(2)16(11)19-13(3)21)20-15(22)10-18(17(23)24)8-4-5-9-18/h6-7H,4-5,8-10H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyUVXVOJDNVOFATJ-UHFFFAOYSA-N
XLogP3.24
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 34354093
1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103584581
1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79041898
1-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535569
1-[2-(4-bromo-2-ethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81287082
1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43579885
1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17442656
1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 17422094
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 39965916
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
1-[2-(2,6-dibromoanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107596796

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 56816659) is 1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is CC(=O)Nc1c(C)ccc(NC(=O)CC2(C(=O)O)CCCC2)c1C.
What is the InChIKey of 1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is UVXVOJDNVOFATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-6-7-14(12(2)16(11)19-13(3)21)20-15(22)10-18(17(23)24)8-4-5-9-18/h6-7H,4-5,8-10H2,1-3H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 56816659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).