benzyl(phenylmethoxy)carbamic acid

C15H15NO3 — CID 71391873

IUPACbenzyl(phenylmethoxy)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H15NO3/c17-15(18)16(11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)
InChIKeyNKRKOSYYWHYYGN-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.30
Rot. Bonds5

About benzyl(phenylmethoxy)carbamic acid

benzyl(phenylmethoxy)carbamic acid (PubChem CID 71391873) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is benzyl(phenylmethoxy)carbamic acid.

Molecular Properties

Compound Namebenzyl(phenylmethoxy)carbamic acid
PubChem CID71391873
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namebenzyl(phenylmethoxy)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H15NO3/c17-15(18)16(11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)
InChIKeyNKRKOSYYWHYYGN-UHFFFAOYSA-N
XLogP3.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl(phenylmethoxy)carbamic acid?
The IUPAC name of benzyl(phenylmethoxy)carbamic acid (CID 71391873) is benzyl(phenylmethoxy)carbamic acid.
What is the SMILES notation for benzyl(phenylmethoxy)carbamic acid?
The canonical SMILES for benzyl(phenylmethoxy)carbamic acid is O=C(O)N(Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl(phenylmethoxy)carbamic acid?
The InChIKey is NKRKOSYYWHYYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)16(11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18).
What are the key properties of benzyl(phenylmethoxy)carbamic acid?
benzyl(phenylmethoxy)carbamic acid has a molecular weight of 257.29 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(phenylmethoxy)carbamic acid is sourced from PubChem (CID 71391873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).