(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide

C16H26N2O — CID 104897188

IUPAC(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-12(2)10-18(11-13(3)4)16(19)15(17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11,17H2,1-4H3/t15-/m0/s1
InChIKeyJJIJAGSPRAPPIP-HNNXBMFYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds6

About (2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide

(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide (PubChem CID 104897188) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
PubChem CID104897188
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-12(2)10-18(11-13(3)4)16(19)15(17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11,17H2,1-4H3/t15-/m0/s1
InChIKeyJJIJAGSPRAPPIP-HNNXBMFYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide
CID 106312194
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514
N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 5102974
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-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide (CID 104897188) is (2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide is CC(C)CN(CC(C)C)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide?
The InChIKey is JJIJAGSPRAPPIP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)10-18(11-13(3)4)16(19)15(17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11,17H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide?
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide has a molecular weight of 262.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide is sourced from PubChem (CID 104897188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).