propan-2-yl N-(2-amino-4-cyanophenyl)carbamate

C11H13N3O2 — CID 78965446

IUPACpropan-2-yl N-(2-amino-4-cyanophenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(C#N)cc1N
InChIInChI=1S/C11H13N3O2/c1-7(2)16-11(15)14-10-4-3-8(6-12)5-9(10)13/h3-5,7H,13H2,1-2H3,(H,14,15)
InChIKeyPKNIVISTRIWNAL-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.10
Rot. Bonds2

About propan-2-yl N-(2-amino-4-cyanophenyl)carbamate

propan-2-yl N-(2-amino-4-cyanophenyl)carbamate (PubChem CID 78965446) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is propan-2-yl N-(2-amino-4-cyanophenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-amino-4-cyanophenyl)carbamate
PubChem CID78965446
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namepropan-2-yl N-(2-amino-4-cyanophenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(C#N)cc1N
InChIInChI=1S/C11H13N3O2/c1-7(2)16-11(15)14-10-4-3-8(6-12)5-9(10)13/h3-5,7H,13H2,1-2H3,(H,14,15)
InChIKeyPKNIVISTRIWNAL-UHFFFAOYSA-N
XLogP2.10
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[3-amino-4-(methoxycarbonylamino)phenyl]carbamate
CID 21482981
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
CID 78965394
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide
CID 78965600
1-(2-amino-4-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 78965201
1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea
CID 78965300
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate
CID 62353732
N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide
CID 82486997
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
CID 107971053
N-(2-amino-4-cyanophenyl)-5-methylfuran-2-carboxamide
CID 78965516

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-amino-4-cyanophenyl)carbamate?
The IUPAC name of propan-2-yl N-(2-amino-4-cyanophenyl)carbamate (CID 78965446) is propan-2-yl N-(2-amino-4-cyanophenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-amino-4-cyanophenyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-amino-4-cyanophenyl)carbamate is CC(C)OC(=O)Nc1ccc(C#N)cc1N.
What is the InChIKey of propan-2-yl N-(2-amino-4-cyanophenyl)carbamate?
The InChIKey is PKNIVISTRIWNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)16-11(15)14-10-4-3-8(6-12)5-9(10)13/h3-5,7H,13H2,1-2H3,(H,14,15).
What are the key properties of propan-2-yl N-(2-amino-4-cyanophenyl)carbamate?
propan-2-yl N-(2-amino-4-cyanophenyl)carbamate has a molecular weight of 219.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-amino-4-cyanophenyl)carbamate is sourced from PubChem (CID 78965446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).