N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide

C19H22N2O3 — CID 108945872

IUPACN-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(15-8-4-3-5-9-15)21-19(23)12-18(22)20-13-16-10-6-7-11-17(16)24-2/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAAOSOISEHZEHAP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.58
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide

N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide (PubChem CID 108945872) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
PubChem CID108945872
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(15-8-4-3-5-9-15)21-19(23)12-18(22)20-13-16-10-6-7-11-17(16)24-2/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAAOSOISEHZEHAP-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
N-[1-(4-aminophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 43297450
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503
N'-[1-(4-ethylphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 108511080
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide (CID 108945872) is N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide is COc1ccccc1CNC(=O)CC(=O)NC(C)c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide?
The InChIKey is AAOSOISEHZEHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(15-8-4-3-5-9-15)21-19(23)12-18(22)20-13-16-10-6-7-11-17(16)24-2/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide?
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide has a molecular weight of 326.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide is sourced from PubChem (CID 108945872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).