(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide

C14H22N2O2 — CID 103797277

IUPAC(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
SMILESCC(O)CCN(C)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(17)8-9-16(2)14(18)13(15)10-12-6-4-3-5-7-12/h3-7,11,13,17H,8-10,15H2,1-2H3/t11?,13-/m1/s1
InChIKeyFZTKMGDWXHSIJR-GLGOKHISSA-N
MW250.34 g/mol
LogP0.79
Rot. Bonds6

About (2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide

(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide (PubChem CID 103797277) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
PubChem CID103797277
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
SMILESCC(O)CCN(C)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(17)8-9-16(2)14(18)13(15)10-12-6-4-3-5-7-12/h3-7,11,13,17H,8-10,15H2,1-2H3/t11?,13-/m1/s1
InChIKeyFZTKMGDWXHSIJR-GLGOKHISSA-N
XLogP0.79
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
6-[(2-amino-3-phenylpropanoyl)-methylamino]hexanoic acid
CID 70550691
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707
methyl 4-[(2-amino-3-phenylpropanoyl)-methylamino]butanoate
CID 60947770
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
methyl 3-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-2-methylpropanoate
CID 61163621
(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737
(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272094
(2S)-2-amino-N-hept-6-enyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119328123
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide (CID 103797277) is (2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide is CC(O)CCN(C)C(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide?
The InChIKey is FZTKMGDWXHSIJR-GLGOKHISSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(17)8-9-16(2)14(18)13(15)10-12-6-4-3-5-7-12/h3-7,11,13,17H,8-10,15H2,1-2H3/t11?,13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide?
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 103797277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).