3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide

C20H26N2O — CID 119717391

IUPAC3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide
SMILESCc1ccc(C(C)N(C)C(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-14-10-12-17(13-11-14)16(3)22(4)20(23)15(2)19(21)18-8-6-5-7-9-18/h5-13,15-16,19H,21H2,1-4H3
InChIKeyCSGMQERPGCEHNL-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.85
Rot. Bonds5

About 3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide

3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide (PubChem CID 119717391) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide
PubChem CID119717391
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide
SMILESCc1ccc(C(C)N(C)C(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-14-10-12-17(13-11-14)16(3)22(4)20(23)15(2)19(21)18-8-6-5-7-9-18/h5-13,15-16,19H,21H2,1-4H3
InChIKeyCSGMQERPGCEHNL-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2-dimethyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 119689419
(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 78973314
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119710675
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119695394
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119737212
N-methyl-2-(methylamino)-N-[1-(4-methylphenyl)ethyl]propanamide
CID 62637498
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
CID 61164093
methyl(1-phenylethyl)carbamic acid
CID 67062794

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide (CID 119717391) is 3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide is Cc1ccc(C(C)N(C)C(=O)C(C)C(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is CSGMQERPGCEHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14-10-12-17(13-11-14)16(3)22(4)20(23)15(2)19(21)18-8-6-5-7-9-18/h5-13,15-16,19H,21H2,1-4H3.
What are the key properties of 3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide?
3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119717391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).