phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate

C21H19NO3 — CID 101077412

IUPACphenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
SMILESCOc1ccc(C(NC(=O)Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3/c1-24-18-14-12-17(13-15-18)20(16-8-4-2-5-9-16)22-21(23)25-19-10-6-3-7-11-19/h2-15,20H,1H3,(H,22,23)
InChIKeyCNWYHGBRSHJKEW-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.57
Rot. Bonds5

About phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate

phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate (PubChem CID 101077412) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
PubChem CID101077412
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namephenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
SMILESCOc1ccc(C(NC(=O)Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3/c1-24-18-14-12-17(13-15-18)20(16-8-4-2-5-9-16)22-21(23)25-19-10-6-3-7-11-19/h2-15,20H,1H3,(H,22,23)
InChIKeyCNWYHGBRSHJKEW-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 101077414
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(4-methoxyphenyl)-phenylmethyl]-2,2-diphenylpropanamide
CID 5198788
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate?
The IUPAC name of phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate (CID 101077412) is phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate.
What is the SMILES notation for phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate?
The canonical SMILES for phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate is COc1ccc(C(NC(=O)Oc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate?
The InChIKey is CNWYHGBRSHJKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-24-18-14-12-17(13-15-18)20(16-8-4-2-5-9-16)22-21(23)25-19-10-6-3-7-11-19/h2-15,20H,1H3,(H,22,23).
What are the key properties of phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate?
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate is sourced from PubChem (CID 101077412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).