N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide

C16H25ClN2O — CID 60849558

IUPACN-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
SMILESCCC(NC(=O)CCCNC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-4-15(13-7-5-8-14(17)11-13)19-16(20)9-6-10-18-12(2)3/h5,7-8,11-12,15,18H,4,6,9-10H2,1-3H3,(H,19,20)
InChIKeyFKEBOGLBWSLKRN-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.69
Rot. Bonds8

About N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide

N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide (PubChem CID 60849558) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
PubChem CID60849558
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
SMILESCCC(NC(=O)CCCNC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-4-15(13-7-5-8-14(17)11-13)19-16(20)9-6-10-18-12(2)3/h5,7-8,11-12,15,18H,4,6,9-10H2,1-3H3,(H,19,20)
InChIKeyFKEBOGLBWSLKRN-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904
N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide
CID 60849585
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625
N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979645
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)propyl]acetamide
CID 64683806
N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 55582086
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide (CID 60849558) is N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide is CCC(NC(=O)CCCNC(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is FKEBOGLBWSLKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-15(13-7-5-8-14(17)11-13)19-16(20)9-6-10-18-12(2)3/h5,7-8,11-12,15,18H,4,6,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide?
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 296.84 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60849558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).