benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid

C16H18N4O5 — CID 136641675

IUPACbenzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid
SMILESCOc1ccc(/N=N/NC(=O)OCc2ccccc2)cc1.NC(=O)O
InChIInChI=1S/C15H15N3O3.CH3NO2/c1-20-14-9-7-13(8-10-14)16-18-17-15(19)21-11-12-5-3-2-4-6-12;2-1(3)4/h2-10H,11H2,1H3,(H,16,17,19);2H2,(H,3,4)
InChIKeyLZHVPZFGIZSHRG-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.24
Rot. Bonds5

About benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid

benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid (PubChem CID 136641675) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid.

Molecular Properties

Compound Namebenzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid
PubChem CID136641675
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Namebenzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid
SMILESCOc1ccc(/N=N/NC(=O)OCc2ccccc2)cc1.NC(=O)O
InChIInChI=1S/C15H15N3O3.CH3NO2/c1-20-14-9-7-13(8-10-14)16-18-17-15(19)21-11-12-5-3-2-4-6-12;2-1(3)4/h2-10H,11H2,1H3,(H,16,17,19);2H2,(H,3,4)
InChIKeyLZHVPZFGIZSHRG-UHFFFAOYSA-N
XLogP3.24
TPSA135.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(Z)-(4-methoxyphenyl)methylideneamino]carbamate
CID 6091794
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
(4-methoxyphenyl)methyl N-[(Z)-[4-(benzylamino)-4-oxobutan-2-ylidene]amino]carbamate
CID 92540458
[4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate
CID 87506222
(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
CID 4271861
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
(4-methoxyphenyl)methyl N-(3-hydroxyiminobutan-2-ylideneamino)carbamate
CID 135406145
(4-methoxyphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10412664

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid?
The IUPAC name of benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid (CID 136641675) is benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid.
What is the SMILES notation for benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid?
The canonical SMILES for benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid is COc1ccc(/N=N/NC(=O)OCc2ccccc2)cc1.NC(=O)O.
What is the InChIKey of benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid?
The InChIKey is LZHVPZFGIZSHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3.CH3NO2/c1-20-14-9-7-13(8-10-14)16-18-17-15(19)21-11-12-5-3-2-4-6-12;2-1(3)4/h2-10H,11H2,1H3,(H,16,17,19);2H2,(H,3,4).
What are the key properties of benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid?
benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid has a molecular weight of 346.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid is sourced from PubChem (CID 136641675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).