(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide

C13H20N2O2 — CID 104897960

IUPAC(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
SMILESCCC(COC)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-11(9-17-2)15-13(16)12(14)10-7-5-4-6-8-10/h4-8,11-12H,3,9,14H2,1-2H3,(H,15,16)/t11?,12-/m0/s1
InChIKeyOPALGUFXMJWKKK-KIYNQFGBSA-N
MW236.31 g/mol
LogP1.23
Rot. Bonds6

About (2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide

(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide (PubChem CID 104897960) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
PubChem CID104897960
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
SMILESCCC(COC)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-11(9-17-2)15-13(16)12(14)10-7-5-4-6-8-10/h4-8,11-12H,3,9,14H2,1-2H3,(H,15,16)/t11?,12-/m0/s1
InChIKeyOPALGUFXMJWKKK-KIYNQFGBSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
2-amino-N-(1-hydroxy-4-methoxybutan-2-yl)-2-phenylacetamide
CID 114210648
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
(2R)-2-amino-N-(1-methoxybutan-2-yl)-3-methylbutanamide
CID 79012417
(2R)-2-amino-N-ethoxy-2-phenylacetamide
CID 64974581
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
methyl (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-4-methylpentanoate
CID 104898337
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide (CID 104897960) is (2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide is CCC(COC)NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide?
The InChIKey is OPALGUFXMJWKKK-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-11(9-17-2)15-13(16)12(14)10-7-5-4-6-8-10/h4-8,11-12H,3,9,14H2,1-2H3,(H,15,16)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide?
(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide is sourced from PubChem (CID 104897960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).