(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide

C14H20N2O — CID 104898275

IUPAC(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
SMILESC=CCN(CCC)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-3-10-16(11-4-2)14(17)13(15)12-8-6-5-7-9-12/h3,5-9,13H,1,4,10-11,15H2,2H3/t13-/m0/s1
InChIKeyNALMEVSSAFHFGM-ZDUSSCGKSA-N
MW232.33 g/mol
LogP2.11
Rot. Bonds6

About (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide

(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide (PubChem CID 104898275) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
PubChem CID104898275
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
SMILESC=CCN(CCC)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-3-10-16(11-4-2)14(17)13(15)12-8-6-5-7-9-12/h3,5-9,13H,1,4,10-11,15H2,2H3/t13-/m0/s1
InChIKeyNALMEVSSAFHFGM-ZDUSSCGKSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
CID 93193539
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866
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-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743
2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
CID 112555851
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide?
The IUPAC name of (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide (CID 104898275) is (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide.
What is the SMILES notation for (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide?
The canonical SMILES for (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide is C=CCN(CCC)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide?
The InChIKey is NALMEVSSAFHFGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-10-16(11-4-2)14(17)13(15)12-8-6-5-7-9-12/h3,5-9,13H,1,4,10-11,15H2,2H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide?
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide has a molecular weight of 232.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide is sourced from PubChem (CID 104898275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).