N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide

C19H23NO5 — CID 18116626

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC(C)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C19H23NO5/c1-12(15-10-13(22-2)6-8-17(15)24-4)20-19(21)16-11-14(23-3)7-9-18(16)25-5/h6-12H,1-5H3,(H,20,21)
InChIKeyVEDYYLVQCYRLBZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.21
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide (PubChem CID 18116626) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
PubChem CID18116626
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC(C)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C19H23NO5/c1-12(15-10-13(22-2)6-8-17(15)24-4)20-19(21)16-11-14(23-3)7-9-18(16)25-5/h6-12H,1-5H3,(H,20,21)
InChIKeyVEDYYLVQCYRLBZ-UHFFFAOYSA-N
XLogP3.21
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide
CID 133164699
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
(2S)-2-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137607

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide (CID 18116626) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NC(C)c2cc(OC)ccc2OC)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide?
The InChIKey is VEDYYLVQCYRLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12(15-10-13(22-2)6-8-17(15)24-4)20-19(21)16-11-14(23-3)7-9-18(16)25-5/h6-12H,1-5H3,(H,20,21).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide has a molecular weight of 345.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 18116626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).