phenyl N-tert-butyl-N-(methylamino)carbamate

C12H18N2O2 — CID 174421673

IUPACphenyl N-tert-butyl-N-(methylamino)carbamate
SMILESCNN(C(=O)Oc1ccccc1)C(C)(C)C
InChIInChI=1S/C12H18N2O2/c1-12(2,3)14(13-4)11(15)16-10-8-6-5-7-9-10/h5-9,13H,1-4H3
InChIKeyWMYCUHAODNPSCL-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.42
Rot. Bonds2

About phenyl N-tert-butyl-N-(methylamino)carbamate

phenyl N-tert-butyl-N-(methylamino)carbamate (PubChem CID 174421673) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is phenyl N-tert-butyl-N-(methylamino)carbamate.

Molecular Properties

Compound Namephenyl N-tert-butyl-N-(methylamino)carbamate
PubChem CID174421673
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namephenyl N-tert-butyl-N-(methylamino)carbamate
SMILESCNN(C(=O)Oc1ccccc1)C(C)(C)C
InChIInChI=1S/C12H18N2O2/c1-12(2,3)14(13-4)11(15)16-10-8-6-5-7-9-10/h5-9,13H,1-4H3
InChIKeyWMYCUHAODNPSCL-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl N-tert-butyl-N-(methylamino)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate
CID 157154650
phenyl 2-amino-2-methylpropanoate
CID 22002021
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
CID 168878000
diphenyl oxalate;ethane
CID 162013592
phenyl 4-(dimethylamino)-2,2-dimethylbutanoate
CID 174861843
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
phenyl N-ethenyl-N-phenylcarbamate
CID 154121806
2,2-dimethyl-N-phenoxypropanamide
CID 20584483

Frequently Asked Questions

What is the IUPAC name of phenyl N-tert-butyl-N-(methylamino)carbamate?
The IUPAC name of phenyl N-tert-butyl-N-(methylamino)carbamate (CID 174421673) is phenyl N-tert-butyl-N-(methylamino)carbamate.
What is the SMILES notation for phenyl N-tert-butyl-N-(methylamino)carbamate?
The canonical SMILES for phenyl N-tert-butyl-N-(methylamino)carbamate is CNN(C(=O)Oc1ccccc1)C(C)(C)C.
What is the InChIKey of phenyl N-tert-butyl-N-(methylamino)carbamate?
The InChIKey is WMYCUHAODNPSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)14(13-4)11(15)16-10-8-6-5-7-9-10/h5-9,13H,1-4H3.
What are the key properties of phenyl N-tert-butyl-N-(methylamino)carbamate?
phenyl N-tert-butyl-N-(methylamino)carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.42, 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-N-(methylamino)carbamate is sourced from PubChem (CID 174421673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).