N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide

C13H17ClN2O2 — CID 174412300

IUPACN-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide
SMILESNC(=O)CC(NC(=O)CCCCl)c1ccccc1
InChIInChI=1S/C13H17ClN2O2/c14-8-4-7-13(18)16-11(9-12(15)17)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,15,17)(H,16,18)
InChIKeyNOEIQKPNLJXYQS-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.74
Rot. Bonds7

About N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide

N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide (PubChem CID 174412300) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide
PubChem CID174412300
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide
SMILESNC(=O)CC(NC(=O)CCCCl)c1ccccc1
InChIInChI=1S/C13H17ClN2O2/c14-8-4-7-13(18)16-11(9-12(15)17)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,15,17)(H,16,18)
InChIKeyNOEIQKPNLJXYQS-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-oxo-1-phenylpropyl)butanamide
CID 44600497
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
3-(9-aminononanoylamino)-3-phenylpropanoic acid;methoxymethane
CID 160625754
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
3-[5-[4-(aminomethyl)phenyl]pentanoylamino]-3-phenylpropanoic acid
CID 19757308
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
(3S)-3-phenyl-3-(4,4,4-trifluorobutanoylamino)propanoic acid
CID 94831306
N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide
CID 114300023
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide?
The IUPAC name of N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide (CID 174412300) is N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide.
What is the SMILES notation for N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide?
The canonical SMILES for N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide is NC(=O)CC(NC(=O)CCCCl)c1ccccc1.
What is the InChIKey of N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide?
The InChIKey is NOEIQKPNLJXYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-8-4-7-13(18)16-11(9-12(15)17)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,15,17)(H,16,18).
What are the key properties of N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide?
N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide has a molecular weight of 268.74 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide is sourced from PubChem (CID 174412300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).