2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid

C18H24N2O4 — CID 31616634

IUPAC2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCNC(=O)c1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-19-17(24)13-5-7-14(8-6-13)20-15(21)11-18(12-16(22)23)9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyBAVDNWUZIQWYJW-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.80
Rot. Bonds6

About 2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 31616634) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID31616634
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCNC(=O)c1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-19-17(24)13-5-7-14(8-6-13)20-15(21)11-18(12-16(22)23)9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyBAVDNWUZIQWYJW-UHFFFAOYSA-N
XLogP2.80
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 45312610
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
CID 81413347
2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 119115370
2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31265150
2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid
CID 2811971
2-[1-[2-(4-tert-butylanilino)-2-oxoethyl]cyclohexyl]acetate
CID 8006656
2-[1-[2-(3-iodo-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662784
2-[1-[2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 56807913
2-[1-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 61403615
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235067
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid (CID 31616634) is 2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid is CNC(=O)c1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)cc1.
What is the InChIKey of 2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is BAVDNWUZIQWYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-19-17(24)13-5-7-14(8-6-13)20-15(21)11-18(12-16(22)23)9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 31616634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).