N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide

C20H25NO5 — CID 14118389

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H25NO5/c1-23-16-9-7-14(12-18(16)25-3)6-5-11-21-20(22)15-8-10-17(24-2)19(13-15)26-4/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,22)
InChIKeyVWFFOHWZXMJCSU-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.08
Rot. Bonds9

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

N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide (PubChem CID 14118389) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
PubChem CID14118389
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H25NO5/c1-23-16-9-7-14(12-18(16)25-3)6-5-11-21-20(22)15-8-10-17(24-2)19(13-15)26-4/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,22)
InChIKeyVWFFOHWZXMJCSU-UHFFFAOYSA-N
XLogP3.08
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 48586947
N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 48599378
N-[3-(3,4-dimethoxyphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 48586348
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 60614192
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86847757
N-[3-(3,4-dimethoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 95091650
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide (CID 14118389) is N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide is COc1ccc(CCCNC(=O)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide?
The InChIKey is VWFFOHWZXMJCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-23-16-9-7-14(12-18(16)25-3)6-5-11-21-20(22)15-8-10-17(24-2)19(13-15)26-4/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,22).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide has a molecular weight of 359.42 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 14118389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).