benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate

C30H27NO4 — CID 24786782

IUPACbenzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate
SMILESCOc1ccc(N(C(=O)OCc2ccccc2)C(C(=O)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H27NO4/c1-22-13-15-24(16-14-22)28(29(32)25-11-7-4-8-12-25)31(26-17-19-27(34-2)20-18-26)30(33)35-21-23-9-5-3-6-10-23/h3-20,28H,21H2,1-2H3
InChIKeyYBLBSMDWKWWWQH-UHFFFAOYSA-N
MW465.55 g/mol
LogP6.77
Rot. Bonds8

About benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate

benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate (PubChem CID 24786782) has the molecular formula C30H27NO4 and a molecular weight of 465.55 g/mol. Its IUPAC name is benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate
PubChem CID24786782
Molecular FormulaC30H27NO4
Molecular Weight465.55 g/mol
Exact Mass465.19
IUPAC Namebenzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate
SMILESCOc1ccc(N(C(=O)OCc2ccccc2)C(C(=O)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H27NO4/c1-22-13-15-24(16-14-22)28(29(32)25-11-7-4-8-12-25)31(26-17-19-27(34-2)20-18-26)30(33)35-21-23-9-5-3-6-10-23/h3-20,28H,21H2,1-2H3
InChIKeyYBLBSMDWKWWWQH-UHFFFAOYSA-N
XLogP6.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate?
The IUPAC name of benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate (CID 24786782) is benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate?
The canonical SMILES for benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate is COc1ccc(N(C(=O)OCc2ccccc2)C(C(=O)c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate?
The InChIKey is YBLBSMDWKWWWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4/c1-22-13-15-24(16-14-22)28(29(32)25-11-7-4-8-12-25)31(26-17-19-27(34-2)20-18-26)30(33)35-21-23-9-5-3-6-10-23/h3-20,28H,21H2,1-2H3.
What are the key properties of benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate?
benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate has a molecular weight of 465.55 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate is sourced from PubChem (CID 24786782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).