3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride

C14H21ClN2O — CID 119305396

IUPAC3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
SMILESC=CCN(CCc1ccccc1)C(=O)CCN.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-2-11-16(14(17)8-10-15)12-9-13-6-4-3-5-7-13;/h2-7H,1,8-12,15H2;1H
InChIKeyCZEXCUYQTWMBTC-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.01
Rot. Bonds7

About 3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride

3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride (PubChem CID 119305396) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
PubChem CID119305396
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
SMILESC=CCN(CCc1ccccc1)C(=O)CCN.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-2-11-16(14(17)8-10-15)12-9-13-6-4-3-5-7-13;/h2-7H,1,8-12,15H2;1H
InChIKeyCZEXCUYQTWMBTC-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.01
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-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide
CID 47082599
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
2-(2-aminoethyl)-N-(2-phenylethyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 120626005
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 104694105
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
4-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]benzoic acid
CID 82071251
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride (CID 119305396) is 3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride is C=CCN(CCc1ccccc1)C(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride?
The InChIKey is CZEXCUYQTWMBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-2-11-16(14(17)8-10-15)12-9-13-6-4-3-5-7-13;/h2-7H,1,8-12,15H2;1H.
What are the key properties of 3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride?
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.01, 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-enylpropanamide;hydrochloride is sourced from PubChem (CID 119305396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).