benzyl N-(4-methylphenoxy)carbonyliminocarbamate

C16H14N2O4 — CID 140646264

IUPACbenzyl N-(4-methylphenoxy)carbonyliminocarbamate
SMILESCc1ccc(OC(=O)N=NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H14N2O4/c1-12-7-9-14(10-8-12)22-16(20)18-17-15(19)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyCHKDHZWDVWZRTK-UHFFFAOYSA-N
MW298.30 g/mol
LogP4.28
Rot. Bonds3

About benzyl N-(4-methylphenoxy)carbonyliminocarbamate

benzyl N-(4-methylphenoxy)carbonyliminocarbamate (PubChem CID 140646264) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is benzyl N-(4-methylphenoxy)carbonyliminocarbamate.

Molecular Properties

Compound Namebenzyl N-(4-methylphenoxy)carbonyliminocarbamate
PubChem CID140646264
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namebenzyl N-(4-methylphenoxy)carbonyliminocarbamate
SMILESCc1ccc(OC(=O)N=NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H14N2O4/c1-12-7-9-14(10-8-12)22-16(20)18-17-15(19)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyCHKDHZWDVWZRTK-UHFFFAOYSA-N
XLogP4.28
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

benzyl (4-methylphenyl) carbonate
CID 118690287
triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate
CID 140646335
benzyl carbonochloridate;toluene
CID 86663382
(4-methylphenyl) N-benzylcarbamate
CID 14292552
tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate
CID 140646458
phenoxycarbonyliminocarbamic acid
CID 68503217
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
benzyl 4-[(4-methylphenyl)diazenyl]benzoate
CID 155439607
(4-methylphenyl)methyl 3-phenylpropyl carbonate
CID 22889315
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
benzyl 4-acetyloxybenzoate
CID 734064

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-methylphenoxy)carbonyliminocarbamate?
The IUPAC name of benzyl N-(4-methylphenoxy)carbonyliminocarbamate (CID 140646264) is benzyl N-(4-methylphenoxy)carbonyliminocarbamate.
What is the SMILES notation for benzyl N-(4-methylphenoxy)carbonyliminocarbamate?
The canonical SMILES for benzyl N-(4-methylphenoxy)carbonyliminocarbamate is Cc1ccc(OC(=O)N=NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-(4-methylphenoxy)carbonyliminocarbamate?
The InChIKey is CHKDHZWDVWZRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-12-7-9-14(10-8-12)22-16(20)18-17-15(19)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of benzyl N-(4-methylphenoxy)carbonyliminocarbamate?
benzyl N-(4-methylphenoxy)carbonyliminocarbamate has a molecular weight of 298.30 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-methylphenoxy)carbonyliminocarbamate is sourced from PubChem (CID 140646264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).