(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide

C14H22N2O2 — CID 78985598

IUPAC(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
SMILESCOCC(C)CNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(10-18-2)9-16-14(17)13(15)8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)/t11?,13-/m1/s1
InChIKeyCZFNBXVSZVQATR-GLGOKHISSA-N
MW250.34 g/mol
LogP0.96
Rot. Bonds7

About (2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide

(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide (PubChem CID 78985598) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
PubChem CID78985598
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
SMILESCOCC(C)CNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(10-18-2)9-16-14(17)13(15)8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)/t11?,13-/m1/s1
InChIKeyCZFNBXVSZVQATR-GLGOKHISSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
CID 106247480
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155842
2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
CID 119308000
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119290472

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide (CID 78985598) is (2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide is COCC(C)CNC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide?
The InChIKey is CZFNBXVSZVQATR-GLGOKHISSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(10-18-2)9-16-14(17)13(15)8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)/t11?,13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide?
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 0.96, 7 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-methoxy-2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 78985598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).