3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide

C16H22ClNO — CID 142490411

IUPAC3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide
SMILESC=C[C@@H](C)CCCNC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO/c1-3-13(2)5-4-12-18-16(19)11-8-14-6-9-15(17)10-7-14/h3,6-7,9-10,13H,1,4-5,8,11-12H2,2H3,(H,18,19)/t13-/m1/s1
InChIKeyXLWNHJLUJSUUCU-CYBMUJFWSA-N
MW279.81 g/mol
LogP3.99
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide

3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide (PubChem CID 142490411) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide
PubChem CID142490411
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide
SMILESC=C[C@@H](C)CCCNC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO/c1-3-13(2)5-4-12-18-16(19)11-8-14-6-9-15(17)10-7-14/h3,6-7,9-10,13H,1,4-5,8,11-12H2,2H3,(H,18,19)/t13-/m1/s1
InChIKeyXLWNHJLUJSUUCU-CYBMUJFWSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
6-[4-(4-chlorophenyl)butanoylamino]-2-propan-2-ylhexanoic acid
CID 170776958
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
CID 108542578
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide
CID 108542872
N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
CID 109027901
N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide
CID 82354216
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide (CID 142490411) is 3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide is C=C[C@@H](C)CCCNC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide?
The InChIKey is XLWNHJLUJSUUCU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-3-13(2)5-4-12-18-16(19)11-8-14-6-9-15(17)10-7-14/h3,6-7,9-10,13H,1,4-5,8,11-12H2,2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide?
3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide has a molecular weight of 279.81 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide is sourced from PubChem (CID 142490411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).