N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide

C29H23N3O3 — CID 168787249

IUPACN-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide
SMILESCOc1ccc(-c2ccc3nccnc3c2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H23N3O3/c1-34-28-14-10-23(22-9-13-25-26(17-22)31-16-15-30-25)18-27(28)32-29(33)21-7-11-24(12-8-21)35-19-20-5-3-2-4-6-20/h2-18H,19H2,1H3,(H,32,33)
InChIKeyKHSLTPDZFTVLSP-UHFFFAOYSA-N
MW461.52 g/mol
LogP6.14
Rot. Bonds7

About N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide

N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide (PubChem CID 168787249) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide
PubChem CID168787249
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC NameN-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide
SMILESCOc1ccc(-c2ccc3nccnc3c2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H23N3O3/c1-34-28-14-10-23(22-9-13-25-26(17-22)31-16-15-30-25)18-27(28)32-29(33)21-7-11-24(12-8-21)35-19-20-5-3-2-4-6-20/h2-18H,19H2,1H3,(H,32,33)
InChIKeyKHSLTPDZFTVLSP-UHFFFAOYSA-N
XLogP6.14
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
CID 5140341
N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
CID 26620629
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-phenylmethoxybenzamide
CID 26522423
2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 20988651
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-phenylmethoxybenzamide
CID 4053442
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
N-(2,5-dimethoxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119475
N-(2-hydroxyphenyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 34954288
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide
CID 17220216
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide (CID 168787249) is N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide is COc1ccc(-c2ccc3nccnc3c2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide?
The InChIKey is KHSLTPDZFTVLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3/c1-34-28-14-10-23(22-9-13-25-26(17-22)31-16-15-30-25)18-27(28)32-29(33)21-7-11-24(12-8-21)35-19-20-5-3-2-4-6-20/h2-18H,19H2,1H3,(H,32,33).
What are the key properties of N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide?
N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide has a molecular weight of 461.52 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 168787249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).