N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide

C36H40N2O4 — CID 151577467

IUPACN-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide
SMILESCCCN(CCc1cccc(OC)c1OC)C(=O)c1ccccc1-c1ccccc1C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C36H40N2O4/c1-5-24-38(25-23-28-17-14-22-33(41-3)34(28)42-4)36(40)32-21-13-11-19-30(32)29-18-10-12-20-31(29)35(39)37(6-2)26-27-15-8-7-9-16-27/h7-22H,5-6,23-26H2,1-4H3
InChIKeyQFTKGGDCBQMPAN-UHFFFAOYSA-N
MW564.73 g/mol
LogP7.13
Rot. Bonds13

About N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide

N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide (PubChem CID 151577467) has the molecular formula C36H40N2O4 and a molecular weight of 564.73 g/mol. Its IUPAC name is N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide
PubChem CID151577467
Molecular FormulaC36H40N2O4
Molecular Weight564.73 g/mol
Exact Mass564.30
IUPAC NameN-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide
SMILESCCCN(CCc1cccc(OC)c1OC)C(=O)c1ccccc1-c1ccccc1C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C36H40N2O4/c1-5-24-38(25-23-28-17-14-22-33(41-3)34(28)42-4)36(40)32-21-13-11-19-30(32)29-18-10-12-20-31(29)35(39)37(6-2)26-27-15-8-7-9-16-27/h7-22H,5-6,23-26H2,1-4H3
InChIKeyQFTKGGDCBQMPAN-UHFFFAOYSA-N
XLogP7.13
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]benzoyl]-[2-(3-ethoxy-4-methoxyphenyl)ethyl]amino]propanoic acid
CID 69426104
3-[2-(2,3-dimethoxyphenyl)ethyl-[2-[2-(1-phenylethylcarbamoyl)phenyl]benzoyl]amino]propanoic acid
CID 69429290
3-[[2-[2-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]benzoyl]-[2-(2,3-dimethoxyphenyl)ethyl]amino]propanoic acid
CID 69430044
N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
CID 46553417
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide
CID 55365562
N-benzyl-N-ethyl-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109157599
N-benzyl-N-ethyl-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109190707
N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109022877
3-[[2-[2-[(4-fluorophenyl)methylcarbamoyl]phenyl]benzoyl]-[2-(2-methoxyphenyl)ethyl]amino]propanoic acid
CID 69434193
N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
CID 113469120
3-[[2-[2-[benzyl(methyl)carbamoyl]phenyl]benzoyl]-[2-(4-ethoxy-3-methoxyphenyl)ethyl]amino]propanoic acid
CID 69430457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide?
The IUPAC name of N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide (CID 151577467) is N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide.
What is the SMILES notation for N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide?
The canonical SMILES for N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide is CCCN(CCc1cccc(OC)c1OC)C(=O)c1ccccc1-c1ccccc1C(=O)N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide?
The InChIKey is QFTKGGDCBQMPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O4/c1-5-24-38(25-23-28-17-14-22-33(41-3)34(28)42-4)36(40)32-21-13-11-19-30(32)29-18-10-12-20-31(29)35(39)37(6-2)26-27-15-8-7-9-16-27/h7-22H,5-6,23-26H2,1-4H3.
What are the key properties of N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide?
N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide has a molecular weight of 564.73 g/mol, XLogP of 7.13, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide is sourced from PubChem (CID 151577467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).