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

C21H19NO3 — CID 102104858

IUPACbenzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
SMILESCOc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO3/c1-24-20-13-9-18(10-14-20)17-7-11-19(12-8-17)22-21(23)25-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,22,23)
InChIKeyANBSWQWQFGUPLI-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.11
Rot. Bonds5

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

benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate (PubChem CID 102104858) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
PubChem CID102104858
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namebenzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
SMILESCOc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO3/c1-24-20-13-9-18(10-14-20)17-7-11-19(12-8-17)22-21(23)25-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,22,23)
InChIKeyANBSWQWQFGUPLI-UHFFFAOYSA-N
XLogP5.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]carbamate
CID 22403841
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CID 60596184
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate
CID 70701214
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
3-methoxy-5-(phenylmethoxycarbonylamino)benzoic acid
CID 68546183
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219805
benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
CID 53221594

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate (CID 102104858) is benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate is COc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cc1.
What is the InChIKey of benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate?
The InChIKey is ANBSWQWQFGUPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-24-20-13-9-18(10-14-20)17-7-11-19(12-8-17)22-21(23)25-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate?
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate is sourced from PubChem (CID 102104858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).