2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate

C12H15N3O2 — CID 43551360

IUPAC2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate
SMILESCC(C)COC(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C12H15N3O2/c1-8(2)7-17-12(16)15-11-4-3-10(14)5-9(11)6-13/h3-5,8H,7,14H2,1-2H3,(H,15,16)
InChIKeyQHAFYKLWMFJARB-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.34
Rot. Bonds3

About 2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate

2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate (PubChem CID 43551360) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate
PubChem CID43551360
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate
SMILESCC(C)COC(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C12H15N3O2/c1-8(2)7-17-12(16)15-11-4-3-10(14)5-9(11)6-13/h3-5,8H,7,14H2,1-2H3,(H,15,16)
InChIKeyQHAFYKLWMFJARB-UHFFFAOYSA-N
XLogP2.34
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.34
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

N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide
CID 43548887
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035
N-(4-amino-2-cyanophenyl)-2-propoxyacetamide
CID 107937420
2-(4-amino-2-cyanoanilino)-3-methylbutanamide
CID 106343969
2-methylpropyl N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 54922634
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
2-methylpropyl N-(4-cyano-1H-pyrazol-5-yl)carbamate
CID 79504414
methyl 3-(4-amino-2-cyanoanilino)propanoate
CID 61295014
1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 43551365
N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
CID 43548948

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate?
The IUPAC name of 2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate (CID 43551360) is 2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate is CC(C)COC(=O)Nc1ccc(N)cc1C#N.
What is the InChIKey of 2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate?
The InChIKey is QHAFYKLWMFJARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(2)7-17-12(16)15-11-4-3-10(14)5-9(11)6-13/h3-5,8H,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate?
2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate has a molecular weight of 233.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate is sourced from PubChem (CID 43551360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).