N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide

C14H18N2O2 — CID 61258440

IUPACN-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNC2CC2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(17)11-2-4-13(5-3-11)16-14(18)8-9-15-12-6-7-12/h2-5,12,15H,6-9H2,1H3,(H,16,18)
InChIKeySKYAXTWNLRJQNW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.97
Rot. Bonds6

About N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide

N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide (PubChem CID 61258440) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
PubChem CID61258440
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNC2CC2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(17)11-2-4-13(5-3-11)16-14(18)8-9-15-12-6-7-12/h2-5,12,15H,6-9H2,1H3,(H,16,18)
InChIKeySKYAXTWNLRJQNW-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide
CID 114253132
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731
(E)-3-[4-[3-(cyclopropylamino)propanoylamino]phenyl]prop-2-enoic acid
CID 115342324
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945915
5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid
CID 61160112

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide (CID 61258440) is N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide is CC(=O)c1ccc(NC(=O)CCNC2CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide?
The InChIKey is SKYAXTWNLRJQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)11-2-4-13(5-3-11)16-14(18)8-9-15-12-6-7-12/h2-5,12,15H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide?
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide has a molecular weight of 246.31 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 61258440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).