N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide

C25H26N2O4 — CID 17359975

IUPACN-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1OC
InChIInChI=1S/C25H26N2O4/c1-17-6-4-7-19(14-17)25(29)27-21-9-5-8-20(16-21)24(28)26-13-12-18-10-11-22(30-2)23(15-18)31-3/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyIEXQVVCHBDXGRH-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.24
Rot. Bonds8

About N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide

N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide (PubChem CID 17359975) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
PubChem CID17359975
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1OC
InChIInChI=1S/C25H26N2O4/c1-17-6-4-7-19(14-17)25(29)27-21-9-5-8-20(16-21)24(28)26-13-12-18-10-11-22(30-2)23(15-18)31-3/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyIEXQVVCHBDXGRH-UHFFFAOYSA-N
XLogP4.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 39899444
3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide
CID 3435303
5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55772378
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109193638
N-[2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111241425
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943944
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylanilino)pyridine-2-carboxamide
CID 109215403
3-bromo-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 26775759
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027780
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide (CID 17359975) is N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide is COc1ccc(CCNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1OC.
What is the InChIKey of N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide?
The InChIKey is IEXQVVCHBDXGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-6-4-7-19(14-17)25(29)27-21-9-5-8-20(16-21)24(28)26-13-12-18-10-11-22(30-2)23(15-18)31-3/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide?
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide has a molecular weight of 418.49 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 17359975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).