3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride

C14H23ClN2O — CID 119949409

IUPAC3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
SMILESCCN(C(=O)CC(N)c1ccccc1)C(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-16(11(2)3)14(17)10-13(15)12-8-6-5-7-9-12;/h5-9,11,13H,4,10,15H2,1-3H3;1H
InChIKeyMJMKPZFBJKUFGG-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.76
Rot. Bonds5

About 3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride

3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride (PubChem CID 119949409) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
PubChem CID119949409
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
SMILESCCN(C(=O)CC(N)c1ccccc1)C(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-16(11(2)3)14(17)10-13(15)12-8-6-5-7-9-12;/h5-9,11,13H,4,10,15H2,1-3H3;1H
InChIKeyMJMKPZFBJKUFGG-UHFFFAOYSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
3-amino-N-(2-methoxyethyl)-3-phenyl-N-propan-2-ylpropanamide
CID 82949172
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
3-[(4-amino-4-phenylbutanoyl)-ethylamino]butanoic acid
CID 63323741
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride
CID 102560405
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide
CID 102560406
(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide
CID 99601037
(1R)-1-amino-4-methyl-1-phenylpentan-3-one
CID 58688874

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride (CID 119949409) is 3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride is CCN(C(=O)CC(N)c1ccccc1)C(C)C.Cl.
What is the InChIKey of 3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride?
The InChIKey is MJMKPZFBJKUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-4-16(11(2)3)14(17)10-13(15)12-8-6-5-7-9-12;/h5-9,11,13H,4,10,15H2,1-3H3;1H.
What are the key properties of 3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride?
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 119949409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).