3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride

C19H25ClN2O — CID 119948730

IUPAC3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
SMILESCC(CCc1ccccc1)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-15(12-13-16-8-4-2-5-9-16)21-19(22)14-18(20)17-10-6-3-7-11-17;/h2-11,15,18H,12-14,20H2,1H3,(H,21,22);1H
InChIKeyKJNDMYYNGOROPF-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.64
Rot. Bonds7

About 3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride

3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride (PubChem CID 119948730) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
PubChem CID119948730
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
SMILESCC(CCc1ccccc1)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-15(12-13-16-8-4-2-5-9-16)21-19(22)14-18(20)17-10-6-3-7-11-17;/h2-11,15,18H,12-14,20H2,1H3,(H,21,22);1H
InChIKeyKJNDMYYNGOROPF-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 40591277
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
CID 119952293
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119950764
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115748796
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride (CID 119948730) is 3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride is CC(CCc1ccccc1)NC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride?
The InChIKey is KJNDMYYNGOROPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-15(12-13-16-8-4-2-5-9-16)21-19(22)14-18(20)17-10-6-3-7-11-17;/h2-11,15,18H,12-14,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride?
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119948730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).