N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride

C14H19ClN2O2 — CID 3024747

IUPACN-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)C(C)NC2CC2)cc1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-9(15-12-7-8-12)14(18)11-3-5-13(6-4-11)16-10(2)17;/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17);1H
InChIKeyNUOXTDACHSAFFC-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.39
Rot. Bonds5

About N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride

N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride (PubChem CID 3024747) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride
PubChem CID3024747
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)C(C)NC2CC2)cc1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-9(15-12-7-8-12)14(18)11-3-5-13(6-4-11)16-10(2)17;/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17);1H
InChIKeyNUOXTDACHSAFFC-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 112514525
2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one
CID 82100823
N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide
CID 13458401
2-(cyclopropylamino)-N-(4-methylphenyl)propanamide
CID 60638669
N-[4-(2-aminopropanoyl)phenyl]acetamide
CID 70449840
2-(cyclopentylamino)-1-(4-ethylphenyl)propan-1-one
CID 82100230
N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide
CID 25498898
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide
CID 60997333
N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide
CID 103309343
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride (CID 3024747) is N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(C(=O)C(C)NC2CC2)cc1.Cl.
What is the InChIKey of N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride?
The InChIKey is NUOXTDACHSAFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-9(15-12-7-8-12)14(18)11-3-5-13(6-4-11)16-10(2)17;/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride?
N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 3024747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).