(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide

C14H22N2O — CID 93248514

IUPAC(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
SMILESCCC(CC)N(C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-12(5-2)16(3)14(17)13(15)11-9-7-6-8-10-11/h6-10,12-13H,4-5,15H2,1-3H3/t13-/m0/s1
InChIKeyVHDXQQNRPNHNTM-ZDUSSCGKSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds5

About (2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide

(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide (PubChem CID 93248514) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
PubChem CID93248514
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
SMILESCCC(CC)N(C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-12(5-2)16(3)14(17)13(15)11-9-7-6-8-10-11/h6-10,12-13H,4-5,15H2,1-3H3/t13-/m0/s1
InChIKeyVHDXQQNRPNHNTM-ZDUSSCGKSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-2-(4-methylphenyl)-N-pentan-3-ylacetamide
CID 114172087
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide
CID 55174347
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-phenylacetamide
CID 60953156
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide (CID 93248514) is (2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide is CCC(CC)N(C)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide?
The InChIKey is VHDXQQNRPNHNTM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12(5-2)16(3)14(17)13(15)11-9-7-6-8-10-11/h6-10,12-13H,4-5,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide?
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide is sourced from PubChem (CID 93248514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).