tert-butyl N-[(2-methylbenzoyl)amino]carbamate

C13H18N2O3 — CID 2218283

IUPACtert-butyl N-[(2-methylbenzoyl)amino]carbamate
SMILESCc1ccccc1C(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O3/c1-9-7-5-6-8-10(9)11(16)14-15-12(17)18-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17)
InChIKeyCDXONFDABIHHRH-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.16
Rot. Bonds1

About tert-butyl N-[(2-methylbenzoyl)amino]carbamate

tert-butyl N-[(2-methylbenzoyl)amino]carbamate (PubChem CID 2218283) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl N-[(2-methylbenzoyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylbenzoyl)amino]carbamate
PubChem CID2218283
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nametert-butyl N-[(2-methylbenzoyl)amino]carbamate
SMILESCc1ccccc1C(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O3/c1-9-7-5-6-8-10(9)11(16)14-15-12(17)18-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17)
InChIKeyCDXONFDABIHHRH-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.16
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

tert-butyl N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]carbamate
CID 9224304
tert-butyl N-[2-[2-[(2-methylbenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537173
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
CID 137320522
N-tert-butyl-2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 17386895
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
1-methyl-3-[(2-methylbenzoyl)amino]thiourea
CID 2731335
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 46636577
2-methyl-N'-(2-methylcyclopropanecarbonyl)benzohydrazide
CID 47102090
tert-butyl N-[(4-chloro-2-fluorobenzoyl)amino]carbamate
CID 26043246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylbenzoyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(2-methylbenzoyl)amino]carbamate (CID 2218283) is tert-butyl N-[(2-methylbenzoyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylbenzoyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(2-methylbenzoyl)amino]carbamate is Cc1ccccc1C(=O)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylbenzoyl)amino]carbamate?
The InChIKey is CDXONFDABIHHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-7-5-6-8-10(9)11(16)14-15-12(17)18-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[(2-methylbenzoyl)amino]carbamate?
tert-butyl N-[(2-methylbenzoyl)amino]carbamate has a molecular weight of 250.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylbenzoyl)amino]carbamate is sourced from PubChem (CID 2218283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).