2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide

C12H18N2O2 — CID 14308256

IUPAC2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCCCO
InChIInChI=1S/C12H18N2O2/c13-11(12(16)14-7-4-8-15)9-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9,13H2,(H,14,16)
InChIKeyZCSOJOPKYLDTED-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.05
Rot. Bonds6

About 2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide

2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide (PubChem CID 14308256) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
PubChem CID14308256
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCCCO
InChIInChI=1S/C12H18N2O2/c13-11(12(16)14-7-4-8-15)9-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9,13H2,(H,14,16)
InChIKeyZCSOJOPKYLDTED-UHFFFAOYSA-N
XLogP0.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
CID 106047732
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide (CID 14308256) is 2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NCCCO.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide?
The InChIKey is ZCSOJOPKYLDTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-11(12(16)14-7-4-8-15)9-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9,13H2,(H,14,16).
What are the key properties of 2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide?
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 14308256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).