3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide

C18H22N2O3 — CID 119673892

IUPAC3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
SMILESCOc1cc(NC(=O)C(C)C(N)c2ccccc2)cc(OC)c1
InChIInChI=1S/C18H22N2O3/c1-12(17(19)13-7-5-4-6-8-13)18(21)20-14-9-15(22-2)11-16(10-14)23-3/h4-12,17H,19H2,1-3H3,(H,20,21)
InChIKeyBTODPAVALJNOKQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.98
Rot. Bonds6

About 3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide

3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide (PubChem CID 119673892) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
PubChem CID119673892
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
SMILESCOc1cc(NC(=O)C(C)C(N)c2ccccc2)cc(OC)c1
InChIInChI=1S/C18H22N2O3/c1-12(17(19)13-7-5-4-6-8-13)18(21)20-14-9-15(22-2)11-16(10-14)23-3/h4-12,17H,19H2,1-3H3,(H,20,21)
InChIKeyBTODPAVALJNOKQ-UHFFFAOYSA-N
XLogP2.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride
CID 119752196
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119733857
3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide
CID 119715007
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
CID 10635675
3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119778880

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide (CID 119673892) is 3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide is COc1cc(NC(=O)C(C)C(N)c2ccccc2)cc(OC)c1.
What is the InChIKey of 3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide?
The InChIKey is BTODPAVALJNOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(17(19)13-7-5-4-6-8-13)18(21)20-14-9-15(22-2)11-16(10-14)23-3/h4-12,17H,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119673892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).