1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid

C21H24N2O5 — CID 120539605

IUPAC1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H24N2O5/c1-14-8-9-15(13-16(14)22-18(24)17-7-6-12-28-17)19(25)23(2)21(20(26)27)10-4-3-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)(H,26,27)
InChIKeySJRJZOVVCIKYCB-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.70
Rot. Bonds5

About 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid

1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120539605) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120539605
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H24N2O5/c1-14-8-9-15(13-16(14)22-18(24)17-7-6-12-28-17)19(25)23(2)21(20(26)27)10-4-3-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)(H,26,27)
InChIKeySJRJZOVVCIKYCB-UHFFFAOYSA-N
XLogP3.70
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[methoxy(methyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148992
methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate
CID 30373031
N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24571372
N-[2-methyl-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51273057
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
1-[(3-fluoro-4-methylbenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539250
N-[5-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 112794246
N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119657284
N-[5-[(3-chlorophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 27795274
N-[5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 9437515
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 31215370
N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 120659344

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid (CID 120539605) is 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid is Cc1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cc1NC(=O)c1ccco1.
What is the InChIKey of 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SJRJZOVVCIKYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14-8-9-15(13-16(14)22-18(24)17-7-6-12-28-17)19(25)23(2)21(20(26)27)10-4-3-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)(H,26,27).
What are the key properties of 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid?
1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 384.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).