[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid

C16H16N2O4 — CID 87545095

IUPAC[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(C(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C16H16N2O4/c19-15(18-22-11-13-4-2-1-3-5-13)14-8-6-12(7-9-14)10-17-16(20)21/h1-9,17H,10-11H2,(H,18,19)(H,20,21)
InChIKeyNUCHPPCBCMCLQJ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.32
Rot. Bonds6

About [4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid

[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid (PubChem CID 87545095) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
PubChem CID87545095
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(C(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C16H16N2O4/c19-15(18-22-11-13-4-2-1-3-5-13)14-8-6-12(7-9-14)10-17-16(20)21/h1-9,17H,10-11H2,(H,18,19)(H,20,21)
InChIKeyNUCHPPCBCMCLQJ-UHFFFAOYSA-N
XLogP2.32
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-phenylmethoxybenzamide
CID 9227272
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
4-bromo-N-phenylmethoxybenzamide
CID 41450559
4-(diethylaminomethyl)-N-phenylmethoxybenzamide
CID 38036519
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
6-methyl-N-phenylmethoxypyridine-3-carboxamide
CID 18149129
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide
CID 10696531
4-(benzenesulfonamido)-N-phenylmethoxybenzamide
CID 18129482

Frequently Asked Questions

What is the IUPAC name of [4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid?
The IUPAC name of [4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid (CID 87545095) is [4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid?
The canonical SMILES for [4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid is O=C(O)NCc1ccc(C(=O)NOCc2ccccc2)cc1.
What is the InChIKey of [4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid?
The InChIKey is NUCHPPCBCMCLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(18-22-11-13-4-2-1-3-5-13)14-8-6-12(7-9-14)10-17-16(20)21/h1-9,17H,10-11H2,(H,18,19)(H,20,21).
What are the key properties of [4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid?
[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid has a molecular weight of 300.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 87545095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).