3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide

C18H21NO3 — CID 2399645

IUPAC3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C18H21NO3/c1-21-16-10-7-14(8-11-16)9-12-18(20)19-13-15-5-3-4-6-17(15)22-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,19,20)
InChIKeyKWTVAHALSUZSAJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.95
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 2399645) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID2399645
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C18H21NO3/c1-21-16-10-7-14(8-11-16)9-12-18(20)19-13-15-5-3-4-6-17(15)22-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,19,20)
InChIKeyKWTVAHALSUZSAJ-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide (CID 2399645) is 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccc(CCC(=O)NCc2ccccc2OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is KWTVAHALSUZSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-16-10-7-14(8-11-16)9-12-18(20)19-13-15-5-3-4-6-17(15)22-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 299.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 2399645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).