3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide

C19H24N2O2 — CID 119950312

IUPAC3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide
SMILESCCCOc1ccc(NC(=O)CC(N)c2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-3-11-23-16-9-10-18(14(2)12-16)21-19(22)13-17(20)15-7-5-4-6-8-15/h4-10,12,17H,3,11,13,20H2,1-2H3,(H,21,22)
InChIKeyKFNSZOSLRGKCGJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.81
Rot. Bonds7

About 3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide

3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide (PubChem CID 119950312) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide
PubChem CID119950312
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide
SMILESCCCOc1ccc(NC(=O)CC(N)c2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-3-11-23-16-9-10-18(14(2)12-16)21-19(22)13-17(20)15-7-5-4-6-8-15/h4-10,12,17H,3,11,13,20H2,1-2H3,(H,21,22)
InChIKeyKFNSZOSLRGKCGJ-UHFFFAOYSA-N
XLogP3.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
CID 110024948
3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119949937
3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 102695385
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 55904755
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949876
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide (CID 119950312) is 3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide is CCCOc1ccc(NC(=O)CC(N)c2ccccc2)c(C)c1.
What is the InChIKey of 3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide?
The InChIKey is KFNSZOSLRGKCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-11-23-16-9-10-18(14(2)12-16)21-19(22)13-17(20)15-7-5-4-6-8-15/h4-10,12,17H,3,11,13,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide?
3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 119950312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).