benzyl N-[(2-methoxybenzoyl)amino]carbamate

C16H16N2O4 — CID 4935888

IUPACbenzyl N-[(2-methoxybenzoyl)amino]carbamate
SMILESCOc1ccccc1C(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-21-14-10-6-5-9-13(14)15(19)17-18-16(20)22-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyKFZPIXYBKARURB-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.27
Rot. Bonds4

About benzyl N-[(2-methoxybenzoyl)amino]carbamate

benzyl N-[(2-methoxybenzoyl)amino]carbamate (PubChem CID 4935888) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is benzyl N-[(2-methoxybenzoyl)amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2-methoxybenzoyl)amino]carbamate
PubChem CID4935888
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namebenzyl N-[(2-methoxybenzoyl)amino]carbamate
SMILESCOc1ccccc1C(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-21-14-10-6-5-9-13(14)15(19)17-18-16(20)22-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyKFZPIXYBKARURB-UHFFFAOYSA-N
XLogP2.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate
CID 44557800
N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
CID 3117717
1-benzyl-3-[(2-methoxybenzoyl)amino]thiourea
CID 7977743
benzyl N-benzamidocarbamate
CID 4935848
2-methoxybenzohydrazide
CID 24051
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate
CID 10755704
N'-(2,2-diphenylacetyl)-2-methoxybenzohydrazide
CID 1049928
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2-methoxybenzoyl)amino]carbamate?
The IUPAC name of benzyl N-[(2-methoxybenzoyl)amino]carbamate (CID 4935888) is benzyl N-[(2-methoxybenzoyl)amino]carbamate.
What is the SMILES notation for benzyl N-[(2-methoxybenzoyl)amino]carbamate?
The canonical SMILES for benzyl N-[(2-methoxybenzoyl)amino]carbamate is COc1ccccc1C(=O)NNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2-methoxybenzoyl)amino]carbamate?
The InChIKey is KFZPIXYBKARURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-14-10-6-5-9-13(14)15(19)17-18-16(20)22-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of benzyl N-[(2-methoxybenzoyl)amino]carbamate?
benzyl N-[(2-methoxybenzoyl)amino]carbamate has a molecular weight of 300.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2-methoxybenzoyl)amino]carbamate is sourced from PubChem (CID 4935888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).