(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide

C13H18N2O — CID 81426075

IUPAC(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-10-15(4-2)13(16)12(14)11-8-6-5-7-9-11/h3,5-9,12H,1,4,10,14H2,2H3/t12-/m1/s1
InChIKeyKTZFTRGNYUGGNQ-GFCCVEGCSA-N
MW218.30 g/mol
LogP1.72
Rot. Bonds5

About (2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide

(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide (PubChem CID 81426075) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
PubChem CID81426075
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-10-15(4-2)13(16)12(14)11-8-6-5-7-9-11/h3,5-9,12H,1,4,10,14H2,2H3/t12-/m1/s1
InChIKeyKTZFTRGNYUGGNQ-GFCCVEGCSA-N
XLogP1.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
(2R)-2-amino-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949185
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
CID 81425726
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514
(2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride
CID 154892021

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide?
The IUPAC name of (2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide (CID 81426075) is (2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for (2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for (2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide is C=CCN(CC)C(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide?
The InChIKey is KTZFTRGNYUGGNQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-10-15(4-2)13(16)12(14)11-8-6-5-7-9-11/h3,5-9,12H,1,4,10,14H2,2H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide?
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide has a molecular weight of 218.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 81426075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).