N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide

C16H25ClN2O — CID 109027901

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
SMILESCC(C)CCNCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-13(2)7-10-18-11-9-16(20)19-12-8-14-3-5-15(17)6-4-14/h3-6,13,18H,7-12H2,1-2H3,(H,19,20)
InChIKeyKAUVMAWYQWNFAD-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.02
Rot. Bonds9

About N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide (PubChem CID 109027901) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
PubChem CID109027901
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
SMILESCC(C)CCNCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-13(2)7-10-18-11-9-16(20)19-12-8-14-3-5-15(17)6-4-14/h3-6,13,18H,7-12H2,1-2H3,(H,19,20)
InChIKeyKAUVMAWYQWNFAD-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.02
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

N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
4-[2-(4-chlorophenyl)ethylamino]-2-methyl-4-oxobutanoic acid
CID 115165161
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209221

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide (CID 109027901) is N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide is CC(C)CCNCCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide?
The InChIKey is KAUVMAWYQWNFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-13(2)7-10-18-11-9-16(20)19-12-8-14-3-5-15(17)6-4-14/h3-6,13,18H,7-12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide has a molecular weight of 296.84 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide is sourced from PubChem (CID 109027901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).