N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide

C17H18N2O3 — CID 86851825

IUPACN-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CC2c2ccco2)ccc1C
InChIInChI=1S/C17H18N2O3/c1-10-5-6-12(8-15(10)18-11(2)20)19-17(21)14-9-13(14)16-4-3-7-22-16/h3-8,13-14H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAUPJWJABIKTURK-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.29
Rot. Bonds4

About N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide

N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 86851825) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID86851825
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CC2c2ccco2)ccc1C
InChIInChI=1S/C17H18N2O3/c1-10-5-6-12(8-15(10)18-11(2)20)19-17(21)14-9-13(14)16-4-3-7-22-16/h3-8,13-14H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAUPJWJABIKTURK-UHFFFAOYSA-N
XLogP3.29
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95178804
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate
CID 86851812
2-chloro-5-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 86851775
5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166375052
cis-(1R,2S)-2-(furan-2-yl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 97003815
2-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-6-methylbenzamide
CID 86851867
N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851939
2-(furan-2-yl)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 86852022
6-[(3-acetamido-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 56814764
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449977
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 75405611

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 86851825) is N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide is CC(=O)Nc1cc(NC(=O)C2CC2c2ccco2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is AUPJWJABIKTURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-5-6-12(8-15(10)18-11(2)20)19-17(21)14-9-13(14)16-4-3-7-22-16/h3-8,13-14H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86851825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).