(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate

C11H16N2O2 — CID 112709148

IUPAC(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate
SMILESCc1cc(OC(=O)NN)ccc1C(C)C
InChIInChI=1S/C11H16N2O2/c1-7(2)10-5-4-9(6-8(10)3)15-11(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyNLOWKSVFNDCKQQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.08
Rot. Bonds2

About (3-methyl-4-propan-2-ylphenyl) N-aminocarbamate

(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate (PubChem CID 112709148) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-methyl-4-propan-2-ylphenyl) N-aminocarbamate.

Molecular Properties

Compound Name(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate
PubChem CID112709148
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate
SMILESCc1cc(OC(=O)NN)ccc1C(C)C
InChIInChI=1S/C11H16N2O2/c1-7(2)10-5-4-9(6-8(10)3)15-11(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyNLOWKSVFNDCKQQ-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
(3-methyl-4-propan-2-ylphenyl) 4-methoxybenzoate
CID 23240007
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576843
(3-methyl-4-propan-2-ylphenyl) thiophene-2-carboxylate
CID 881438
N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide
CID 11821525
2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 43808807
3-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propanoic acid
CID 60987347
(3-methyl-4-propan-2-ylphenyl) 2-bromo-5-methoxybenzoate
CID 7927182
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-propan-2-ylphenyl) N-aminocarbamate?
The IUPAC name of (3-methyl-4-propan-2-ylphenyl) N-aminocarbamate (CID 112709148) is (3-methyl-4-propan-2-ylphenyl) N-aminocarbamate.
What is the SMILES notation for (3-methyl-4-propan-2-ylphenyl) N-aminocarbamate?
The canonical SMILES for (3-methyl-4-propan-2-ylphenyl) N-aminocarbamate is Cc1cc(OC(=O)NN)ccc1C(C)C.
What is the InChIKey of (3-methyl-4-propan-2-ylphenyl) N-aminocarbamate?
The InChIKey is NLOWKSVFNDCKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)10-5-4-9(6-8(10)3)15-11(14)13-12/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of (3-methyl-4-propan-2-ylphenyl) N-aminocarbamate?
(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate has a molecular weight of 208.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-propan-2-ylphenyl) N-aminocarbamate is sourced from PubChem (CID 112709148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).