N-benzhydryl-3,5-dimethoxy-4-methylbenzamide

C23H23NO3 — CID 4852309

IUPACN-benzhydryl-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(c2ccccc2)c2ccccc2)cc(OC)c1C
InChIInChI=1S/C23H23NO3/c1-16-20(26-2)14-19(15-21(16)27-3)23(25)24-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,22H,1-3H3,(H,24,25)
InChIKeyGJNFDMQGNPWGFY-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.53
Rot. Bonds6

About N-benzhydryl-3,5-dimethoxy-4-methylbenzamide

N-benzhydryl-3,5-dimethoxy-4-methylbenzamide (PubChem CID 4852309) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-benzhydryl-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-benzhydryl-3,5-dimethoxy-4-methylbenzamide
PubChem CID4852309
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-benzhydryl-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(c2ccccc2)c2ccccc2)cc(OC)c1C
InChIInChI=1S/C23H23NO3/c1-16-20(26-2)14-19(15-21(16)27-3)23(25)24-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,22H,1-3H3,(H,24,25)
InChIKeyGJNFDMQGNPWGFY-UHFFFAOYSA-N
XLogP4.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-benzhydryl-3,5-dimethoxy-4-methylbenzamide (CID 4852309) is N-benzhydryl-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-benzhydryl-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-benzhydryl-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NC(c2ccccc2)c2ccccc2)cc(OC)c1C.
What is the InChIKey of N-benzhydryl-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is GJNFDMQGNPWGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-16-20(26-2)14-19(15-21(16)27-3)23(25)24-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,22H,1-3H3,(H,24,25).
What are the key properties of N-benzhydryl-3,5-dimethoxy-4-methylbenzamide?
N-benzhydryl-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 361.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 4852309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).