benzyl N-benzamidocarbamate

C15H14N2O3 — CID 4935848

IUPACbenzyl N-benzamidocarbamate
SMILESO=C(NNC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14(13-9-5-2-6-10-13)16-17-15(19)20-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,18)(H,17,19)
InChIKeyHLZPIGLRYFIVCO-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.26
Rot. Bonds3

About benzyl N-benzamidocarbamate

benzyl N-benzamidocarbamate (PubChem CID 4935848) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is benzyl N-benzamidocarbamate.

Molecular Properties

Compound Namebenzyl N-benzamidocarbamate
PubChem CID4935848
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namebenzyl N-benzamidocarbamate
SMILESO=C(NNC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14(13-9-5-2-6-10-13)16-17-15(19)20-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,18)(H,17,19)
InChIKeyHLZPIGLRYFIVCO-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
benzyl N-[(2-methoxybenzoyl)amino]carbamate
CID 4935888
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl N-chlorocarbamate
CID 2755304
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
(3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate
CID 6733878
benzyl benzoate
CID 2345
benzyl N-[(2,2-diphenylacetyl)amino]carbamate
CID 4935805
benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 27308455
benzyl 2-benzamidoacetate;ethane
CID 142836612

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzamidocarbamate?
The IUPAC name of benzyl N-benzamidocarbamate (CID 4935848) is benzyl N-benzamidocarbamate.
What is the SMILES notation for benzyl N-benzamidocarbamate?
The canonical SMILES for benzyl N-benzamidocarbamate is O=C(NNC(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-benzamidocarbamate?
The InChIKey is HLZPIGLRYFIVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(13-9-5-2-6-10-13)16-17-15(19)20-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,18)(H,17,19).
What are the key properties of benzyl N-benzamidocarbamate?
benzyl N-benzamidocarbamate has a molecular weight of 270.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzamidocarbamate is sourced from PubChem (CID 4935848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).