N-tert-butyl-N-(4-cyanophenyl)carbamate

C12H13N2O2- — CID 155885638

IUPACN-tert-butyl-N-(4-cyanophenyl)carbamate
SMILESCC(C)(C)N(C(=O)[O-])c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O2/c1-12(2,3)14(11(15)16)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,15,16)/p-1
InChIKeyBTBMAEPGSFBJJR-UHFFFAOYSA-M
MW217.25 g/mol
LogP1.51
Rot. Bonds1

About N-tert-butyl-N-(4-cyanophenyl)carbamate

N-tert-butyl-N-(4-cyanophenyl)carbamate (PubChem CID 155885638) has the molecular formula C12H13N2O2- and a molecular weight of 217.25 g/mol. Its IUPAC name is N-tert-butyl-N-(4-cyanophenyl)carbamate.

Molecular Properties

Compound NameN-tert-butyl-N-(4-cyanophenyl)carbamate
PubChem CID155885638
Molecular FormulaC12H13N2O2-
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC NameN-tert-butyl-N-(4-cyanophenyl)carbamate
SMILESCC(C)(C)N(C(=O)[O-])c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O2/c1-12(2,3)14(11(15)16)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,15,16)/p-1
InChIKeyBTBMAEPGSFBJJR-UHFFFAOYSA-M
XLogP1.51
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-N-(4-cyanophenyl)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

2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
2-(4-cyano-N-methylanilino)-2-methylpropanoic acid
CID 62819086
N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429961
4-(2-hydroxy-2-methylpropanoyl)benzonitrile
CID 13026809
4-(N-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-4-cyanoanilino)benzonitrile
CID 102267120
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]benzonitrile
CID 43800326
tert-butyl N-(N-amino-4-cyanoanilino)-N-methylcarbamate
CID 131970520
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
tert-butyl-(4-cyano-2-iodophenyl)carbamic acid
CID 67437854
N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide
CID 60724445
N,N-ditert-butyl-3-cyanobenzamide
CID 59614204
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(4-cyanophenyl)carbamate?
The IUPAC name of N-tert-butyl-N-(4-cyanophenyl)carbamate (CID 155885638) is N-tert-butyl-N-(4-cyanophenyl)carbamate.
What is the SMILES notation for N-tert-butyl-N-(4-cyanophenyl)carbamate?
The canonical SMILES for N-tert-butyl-N-(4-cyanophenyl)carbamate is CC(C)(C)N(C(=O)[O-])c1ccc(C#N)cc1.
What is the InChIKey of N-tert-butyl-N-(4-cyanophenyl)carbamate?
The InChIKey is BTBMAEPGSFBJJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,3)14(11(15)16)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,15,16)/p-1.
What are the key properties of N-tert-butyl-N-(4-cyanophenyl)carbamate?
N-tert-butyl-N-(4-cyanophenyl)carbamate has a molecular weight of 217.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4-cyanophenyl)carbamate is sourced from PubChem (CID 155885638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).