N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide

C26H29NO3 — CID 2109638

IUPACN-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1OCC(C)C
InChIInChI=1S/C26H29NO3/c1-19(2)18-30-23-16-15-22(17-24(23)29-4)26(28)27(3)25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,19,25H,18H2,1-4H3
InChIKeyOGIAFCYUZDIKEH-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.59
Rot. Bonds8

About N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide

N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide (PubChem CID 2109638) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
PubChem CID2109638
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC NameN-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1OCC(C)C
InChIInChI=1S/C26H29NO3/c1-19(2)18-30-23-16-15-22(17-24(23)29-4)26(28)27(3)25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,19,25H,18H2,1-4H3
InChIKeyOGIAFCYUZDIKEH-UHFFFAOYSA-N
XLogP5.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide (CID 2109638) is N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1OCC(C)C.
What is the InChIKey of N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The InChIKey is OGIAFCYUZDIKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-19(2)18-30-23-16-15-22(17-24(23)29-4)26(28)27(3)25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,19,25H,18H2,1-4H3.
What are the key properties of N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide has a molecular weight of 403.52 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 2109638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).