N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide

C25H26N2O5 — CID 36936630

IUPACN-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C25H26N2O5/c1-30-21-13-17(14-22(31-2)24(21)32-3)15-26-23(28)16-27-25(29)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyWODHDVLRKGSXGW-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.43
Rot. Bonds9

About N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide

N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide (PubChem CID 36936630) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
PubChem CID36936630
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C25H26N2O5/c1-30-21-13-17(14-22(31-2)24(21)32-3)15-26-23(28)16-27-25(29)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyWODHDVLRKGSXGW-UHFFFAOYSA-N
XLogP3.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 31446452
N-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55596801
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55875017
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
2-[[N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111377267
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 37013397
N-(2-anilino-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55836388

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide (CID 36936630) is N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide is COc1cc(CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide?
The InChIKey is WODHDVLRKGSXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-30-21-13-17(14-22(31-2)24(21)32-3)15-26-23(28)16-27-25(29)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide?
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide has a molecular weight of 434.49 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide is sourced from PubChem (CID 36936630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).