N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide

C16H24ClNO2 — CID 107157225

IUPACN-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(Cl)CC(C)C)cc1
InChIInChI=1S/C16H24ClNO2/c1-12(2)10-14(17)11-18-16(19)9-6-13-4-7-15(20-3)8-5-13/h4-5,7-8,12,14H,6,9-11H2,1-3H3,(H,18,19)
InChIKeyJKEOAWZNBSDXFU-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.40
Rot. Bonds8

About N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide

N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 107157225) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
PubChem CID107157225
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(Cl)CC(C)C)cc1
InChIInChI=1S/C16H24ClNO2/c1-12(2)10-14(17)11-18-16(19)9-6-13-4-7-15(20-3)8-5-13/h4-5,7-8,12,14H,6,9-11H2,1-3H3,(H,18,19)
InChIKeyJKEOAWZNBSDXFU-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 103770855
2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253241
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
N-(2-chloro-4-methylpentyl)-4-methoxybenzamide
CID 107157339
N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide
CID 114305247
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide
CID 17359995
N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide
CID 103722806
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide (CID 107157225) is N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC(Cl)CC(C)C)cc1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is JKEOAWZNBSDXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12(2)10-14(17)11-18-16(19)9-6-13-4-7-15(20-3)8-5-13/h4-5,7-8,12,14H,6,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 297.83 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 107157225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).