2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid

C18H24N2O4 — CID 119115370

IUPAC2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCc1cc(NC(=O)CC2(CC(=O)O)CCCCC2)ccc1C(N)=O
InChIInChI=1S/C18H24N2O4/c1-12-9-13(5-6-14(12)17(19)24)20-15(21)10-18(11-16(22)23)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H2,19,24)(H,20,21)(H,22,23)
InChIKeyXUQOKBDLNRJFJM-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 119115370) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID119115370
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCc1cc(NC(=O)CC2(CC(=O)O)CCCCC2)ccc1C(N)=O
InChIInChI=1S/C18H24N2O4/c1-12-9-13(5-6-14(12)17(19)24)20-15(21)10-18(11-16(22)23)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H2,19,24)(H,20,21)(H,22,23)
InChIKeyXUQOKBDLNRJFJM-UHFFFAOYSA-N
XLogP2.85
TPSA109.49 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 ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31616634
4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
CID 64676821
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433360
2-[1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81149045
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
2-[1-[2-[3-(tert-butylsulfinylmethyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 119135340
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
CID 146004474
2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 8893573

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid (CID 119115370) is 2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid is Cc1cc(NC(=O)CC2(CC(=O)O)CCCCC2)ccc1C(N)=O.
What is the InChIKey of 2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is XUQOKBDLNRJFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-9-13(5-6-14(12)17(19)24)20-15(21)10-18(11-16(22)23)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H2,19,24)(H,20,21)(H,22,23).
What are the key properties of 2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.85, 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-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 119115370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).