N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide

C18H21NO3 — CID 803893

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(CNC(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C18H21NO3/c1-21-16-10-8-15(12-17(16)22-2)13-19-18(20)11-9-14-6-4-3-5-7-14/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,20)
InChIKeyISTSYQNTHIFJEA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.95
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide (PubChem CID 803893) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
PubChem CID803893
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(CNC(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C18H21NO3/c1-21-16-10-8-15(12-17(16)22-2)13-19-18(20)11-9-14-6-4-3-5-7-14/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,20)
InChIKeyISTSYQNTHIFJEA-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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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
CID 108949889
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
[2-(benzylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325328
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 120607855
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide (CID 803893) is N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide is COc1ccc(CNC(=O)CCc2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide?
The InChIKey is ISTSYQNTHIFJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-16-10-8-15(12-17(16)22-2)13-19-18(20)11-9-14-6-4-3-5-7-14/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide 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 N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 803893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).