4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride

C14H23ClN2O2 — CID 120559424

IUPAC4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCCOc1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-12(15)8-9-14(17)16-10-5-11-18-13-6-3-2-4-7-13;/h2-4,6-7,12H,5,8-11,15H2,1H3,(H,16,17);1H
InChIKeyTZHKPPKGOIXNJK-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.12
Rot. Bonds8

About 4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride

4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride (PubChem CID 120559424) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
PubChem CID120559424
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCCOc1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-12(15)8-9-14(17)16-10-5-11-18-13-6-3-2-4-7-13;/h2-4,6-7,12H,5,8-11,15H2,1H3,(H,16,17);1H
InChIKeyTZHKPPKGOIXNJK-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
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

4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride
CID 120561157
N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
CID 62378949
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
4-amino-N-(3-anilinopropyl)pentanamide
CID 120565112
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride (CID 120559424) is 4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride is CC(N)CCC(=O)NCCCOc1ccccc1.Cl.
What is the InChIKey of 4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride?
The InChIKey is TZHKPPKGOIXNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-12(15)8-9-14(17)16-10-5-11-18-13-6-3-2-4-7-13;/h2-4,6-7,12H,5,8-11,15H2,1H3,(H,16,17);1H.
What are the key properties of 4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride?
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride is sourced from PubChem (CID 120559424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).