3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide

C20H26N2O — CID 119795633

IUPAC3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
SMILESCc1cccc(C(C)(C)NC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C20H26N2O/c1-14-9-8-12-17(13-14)20(3,4)22-19(23)15(2)18(21)16-10-6-5-7-11-16/h5-13,15,18H,21H2,1-4H3,(H,22,23)
InChIKeyHKHPRGQTTHGUEG-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.68
Rot. Bonds5

About 3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide (PubChem CID 119795633) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
PubChem CID119795633
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
SMILESCc1cccc(C(C)(C)NC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C20H26N2O/c1-14-9-8-12-17(13-14)20(3,4)22-19(23)15(2)18(21)16-10-6-5-7-11-16/h5-13,15,18H,21H2,1-4H3,(H,22,23)
InChIKeyHKHPRGQTTHGUEG-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-3-phenyl-N-(2-phenylpropan-2-yl)propanamide;hydrochloride
CID 119709318
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide
CID 119870225
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309
3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide
CID 82747385
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-2-phenylacetamide
CID 119308143
2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330311
N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119716655

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide (CID 119795633) is 3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide is Cc1cccc(C(C)(C)NC(=O)C(C)C(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is HKHPRGQTTHGUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14-9-8-12-17(13-14)20(3,4)22-19(23)15(2)18(21)16-10-6-5-7-11-16/h5-13,15,18H,21H2,1-4H3,(H,22,23).
What are the key properties of 3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 119795633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).