N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide

C20H22N2O2 — CID 50821432

IUPACN-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCCC(=O)Nc1ccc(C2(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-18(23)22-17-10-8-16(9-11-17)20(12-13-20)19(24)21-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyFHORQBFMXZHBFM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.38
Rot. Bonds6

About N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide

N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 50821432) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID50821432
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCCC(=O)Nc1ccc(C2(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-18(23)22-17-10-8-16(9-11-17)20(12-13-20)19(24)21-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyFHORQBFMXZHBFM-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[4-[1-(benzylcarbamoyl)cyclobutyl]anilino]-2-oxoacetate
CID 50827081
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide
CID 34833770
N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821667
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
CID 50827100
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 33315785
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822228
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide (CID 50821432) is N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide is CCC(=O)Nc1ccc(C2(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is FHORQBFMXZHBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-18(23)22-17-10-8-16(9-11-17)20(12-13-20)19(24)21-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 50821432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).