3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride

C20H27ClN2O — CID 119952076

IUPAC3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
SMILESCCC(Cc1ccccc1)N(C)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-3-18(14-16-10-6-4-7-11-16)22(2)20(23)15-19(21)17-12-8-5-9-13-17;/h4-13,18-19H,3,14-15,21H2,1-2H3;1H
InChIKeyJWUQEWUFBCPZFP-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.98
Rot. Bonds7

About 3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride

3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride (PubChem CID 119952076) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
PubChem CID119952076
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
SMILESCCC(Cc1ccccc1)N(C)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-3-18(14-16-10-6-4-7-11-16)22(2)20(23)15-19(21)17-12-8-5-9-13-17;/h4-13,18-19H,3,14-15,21H2,1-2H3;1H
InChIKeyJWUQEWUFBCPZFP-UHFFFAOYSA-N
XLogP3.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride
CID 120563414
4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
CID 120593388
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
(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-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
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-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
CID 120611344
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride (CID 119952076) is 3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride is CCC(Cc1ccccc1)N(C)C(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride?
The InChIKey is JWUQEWUFBCPZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-3-18(14-16-10-6-4-7-11-16)22(2)20(23)15-19(21)17-12-8-5-9-13-17;/h4-13,18-19H,3,14-15,21H2,1-2H3;1H.
What are the key properties of 3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride?
3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119952076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).