N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide

C19H22N2O3 — CID 108948794

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-21(16-6-4-3-5-7-16)19(23)14-18(22)20-13-12-15-8-10-17(24-2)11-9-15/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyFTBLZYMASIWXLV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide

N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide (PubChem CID 108948794) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
PubChem CID108948794
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-21(16-6-4-3-5-7-16)19(23)14-18(22)20-13-12-15-8-10-17(24-2)11-9-15/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyFTBLZYMASIWXLV-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108977748
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide
CID 109022468
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979690
(3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide
CID 5371052
N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
CID 11259109
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide (CID 108948794) is N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide is COc1ccc(CCNC(=O)CC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide?
The InChIKey is FTBLZYMASIWXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(16-6-4-3-5-7-16)19(23)14-18(22)20-13-12-15-8-10-17(24-2)11-9-15/h3-11H,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide has a molecular weight of 326.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide is sourced from PubChem (CID 108948794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).