N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide

C27H30N2O4 — CID 30393729

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C27H30N2O4/c1-18-9-10-19(2)21(15-18)17-26(30)29-23-8-6-5-7-22(23)27(31)28-14-13-20-11-12-24(32-3)25(16-20)33-4/h5-12,15-16H,13-14,17H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyUXMGSRZIRVUIOQ-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.47
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide (PubChem CID 30393729) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
PubChem CID30393729
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C27H30N2O4/c1-18-9-10-19(2)21(15-18)17-26(30)29-23-8-6-5-7-22(23)27(31)28-14-13-20-11-12-24(32-3)25(16-20)33-4/h5-12,15-16H,13-14,17H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyUXMGSRZIRVUIOQ-UHFFFAOYSA-N
XLogP4.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 21367574
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17311661
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzamide
CID 38007326
N'-(2-carbamoylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506282
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108949721
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929756
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide (CID 30393729) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide is COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2cc(C)ccc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide?
The InChIKey is UXMGSRZIRVUIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-18-9-10-19(2)21(15-18)17-26(30)29-23-8-6-5-7-22(23)27(31)28-14-13-20-11-12-24(32-3)25(16-20)33-4/h5-12,15-16H,13-14,17H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 30393729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).