3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide

C15H22N2O — CID 119752351

IUPAC3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
SMILESC=CCN(CCc1ccccc1)C(=O)CC(C)N
InChIInChI=1S/C15H22N2O/c1-3-10-17(15(18)12-13(2)16)11-9-14-7-5-4-6-8-14/h3-8,13H,1,9-12,16H2,2H3
InChIKeyBWHQALBHACKYCT-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.98
Rot. Bonds7

About 3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide

3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide (PubChem CID 119752351) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
PubChem CID119752351
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
SMILESC=CCN(CCc1ccccc1)C(=O)CC(C)N
InChIInChI=1S/C15H22N2O/c1-3-10-17(15(18)12-13(2)16)11-9-14-7-5-4-6-8-14/h3-8,13H,1,9-12,16H2,2H3
InChIKeyBWHQALBHACKYCT-UHFFFAOYSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.98
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

3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide
CID 47082599
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
CID 134893638
3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
CID 119774602

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide?
The IUPAC name of 3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide (CID 119752351) is 3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide?
The canonical SMILES for 3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide is C=CCN(CCc1ccccc1)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide?
The InChIKey is BWHQALBHACKYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-10-17(15(18)12-13(2)16)11-9-14-7-5-4-6-8-14/h3-8,13H,1,9-12,16H2,2H3.
What are the key properties of 3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide?
3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide is sourced from PubChem (CID 119752351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).