3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide

C16H26N2O2 — CID 107199250

IUPAC3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
SMILESCC(C(=O)N(C)CCCCCO)C(N)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(15(17)14-9-5-3-6-10-14)16(20)18(2)11-7-4-8-12-19/h3,5-6,9-10,13,15,19H,4,7-8,11-12,17H2,1-2H3
InChIKeyCKNLLFPIBUGRJP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.94
Rot. Bonds8

About 3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide

3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide (PubChem CID 107199250) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
PubChem CID107199250
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
SMILESCC(C(=O)N(C)CCCCCO)C(N)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(15(17)14-9-5-3-6-10-14)16(20)18(2)11-7-4-8-12-19/h3,5-6,9-10,13,15,19H,4,7-8,11-12,17H2,1-2H3
InChIKeyCKNLLFPIBUGRJP-UHFFFAOYSA-N
XLogP1.94
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.94
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

3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
4-[5-hydroxypentyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107198553
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 119886219
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119695394
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103812839
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide (CID 107199250) is 3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide is CC(C(=O)N(C)CCCCCO)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is CKNLLFPIBUGRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(15(17)14-9-5-3-6-10-14)16(20)18(2)11-7-4-8-12-19/h3,5-6,9-10,13,15,19H,4,7-8,11-12,17H2,1-2H3.
What are the key properties of 3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide?
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 107199250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).