3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride

C14H23ClN2O — CID 119950260

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

About 3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119950260) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119950260
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCCC(C)N(C)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-11(2)16(3)14(17)10-13(15)12-8-6-5-7-9-12;/h5-9,11,13H,4,10,15H2,1-3H3;1H
InChIKeyFJGUHPKNGJWWGX-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

(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide
CID 99601037
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
3-amino-N-(4-ethylsulfanylbutan-2-yl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119952430
3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
CID 119952076
3-amino-N-(4-ethylsulfanylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 119952431
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950674
3-amino-N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950369
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride (CID 119950260) is 3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride is CCC(C)N(C)C(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is FJGUHPKNGJWWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-4-11(2)16(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-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;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-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).