N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide

C16H26N2O2 — CID 106153300

IUPACN-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCC(C)CN)cc1
InChIInChI=1S/C16H26N2O2/c1-13(12-17)4-3-11-18-16(19)10-7-14-5-8-15(20-2)9-6-14/h5-6,8-9,13H,3-4,7,10-12,17H2,1-2H3,(H,18,19)
InChIKeyIYGDYDVLSRRZRV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.12
Rot. Bonds9

About N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide

N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 106153300) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
PubChem CID106153300
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCC(C)CN)cc1
InChIInChI=1S/C16H26N2O2/c1-13(12-17)4-3-11-18-16(19)10-7-14-5-8-15(20-2)9-6-14/h5-6,8-9,13H,3-4,7,10-12,17H2,1-2H3,(H,18,19)
InChIKeyIYGDYDVLSRRZRV-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-methoxyphenyl)propanoylamino]-2-methylpentanoic acid
CID 104682662
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
CID 107321632
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide
CID 78798639
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide (CID 106153300) is N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCCC(C)CN)cc1.
What is the InChIKey of N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is IYGDYDVLSRRZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(12-17)4-3-11-18-16(19)10-7-14-5-8-15(20-2)9-6-14/h5-6,8-9,13H,3-4,7,10-12,17H2,1-2H3,(H,18,19).
What are the key properties of N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 106153300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).