phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate

C19H22N2O3 — CID 848610

IUPACphenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate
SMILESCc1cccc(C(=O)N(NC(=O)Oc2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C19H22N2O3/c1-14-9-8-10-15(13-14)17(22)21(19(2,3)4)20-18(23)24-16-11-6-5-7-12-16/h5-13H,1-4H3,(H,20,23)
InChIKeyJSPWKGBZCAJUNY-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.94
Rot. Bonds2

About phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate

phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate (PubChem CID 848610) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate.

Molecular Properties

Compound Namephenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate
PubChem CID848610
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namephenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate
SMILESCc1cccc(C(=O)N(NC(=O)Oc2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C19H22N2O3/c1-14-9-8-10-15(13-14)17(22)21(19(2,3)4)20-18(23)24-16-11-6-5-7-12-16/h5-13H,1-4H3,(H,20,23)
InChIKeyJSPWKGBZCAJUNY-UHFFFAOYSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate?
The IUPAC name of phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate (CID 848610) is phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate.
What is the SMILES notation for phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate?
The canonical SMILES for phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate is Cc1cccc(C(=O)N(NC(=O)Oc2ccccc2)C(C)(C)C)c1.
What is the InChIKey of phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate?
The InChIKey is JSPWKGBZCAJUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-9-8-10-15(13-14)17(22)21(19(2,3)4)20-18(23)24-16-11-6-5-7-12-16/h5-13H,1-4H3,(H,20,23).
What are the key properties of phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate?
phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate is sourced from PubChem (CID 848610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).