N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide

C20H25NO3 — CID 133201858

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
SMILESCCC(NC(=O)c1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO3/c1-6-17(15-9-10-18(23-4)19(12-15)24-5)21-20(22)16-8-7-13(2)14(3)11-16/h7-12,17H,6H2,1-5H3,(H,21,22)
InChIKeyHJNAFNQPPMVYBH-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.20
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide

N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide (PubChem CID 133201858) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
PubChem CID133201858
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
SMILESCCC(NC(=O)c1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO3/c1-6-17(15-9-10-18(23-4)19(12-15)24-5)21-20(22)16-8-7-13(2)14(3)11-16/h7-12,17H,6H2,1-5H3,(H,21,22)
InChIKeyHJNAFNQPPMVYBH-UHFFFAOYSA-N
XLogP4.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 132653990
3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 100648795
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 100711328
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylpyridine-4-carboxamide
CID 99933793
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
N-[1-(3,4-dimethoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133231412
3-[(4-chloro-3-methylbenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 120684289
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide (CID 133201858) is N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide is CCC(NC(=O)c1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide?
The InChIKey is HJNAFNQPPMVYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-6-17(15-9-10-18(23-4)19(12-15)24-5)21-20(22)16-8-7-13(2)14(3)11-16/h7-12,17H,6H2,1-5H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide has a molecular weight of 327.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 133201858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).