(3-propan-2-ylphenyl) N-propan-2-ylcarbamate

C13H19NO2 — CID 127551398

IUPAC(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cccc(C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)11-6-5-7-12(8-11)16-13(15)14-10(3)4/h5-10H,1-4H3,(H,14,15)
InChIKeyOXMFIHVDRHPYDX-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.31
Rot. Bonds3

About (3-propan-2-ylphenyl) N-propan-2-ylcarbamate

(3-propan-2-ylphenyl) N-propan-2-ylcarbamate (PubChem CID 127551398) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3-propan-2-ylphenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
PubChem CID127551398
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cccc(C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)11-6-5-7-12(8-11)16-13(15)14-10(3)4/h5-10H,1-4H3,(H,14,15)
InChIKeyOXMFIHVDRHPYDX-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-phenylphenyl) N-propan-2-ylcarbamate
CID 11673293
(3-propan-2-ylphenyl) 2-(dimethylamino)acetate
CID 91261500
4-oxo-4-(3-propan-2-ylphenoxy)butanoic acid
CID 94263248
[3-(1-hydroxyethyl)phenyl] acetate
CID 11030413
(3,5-diphenylphenyl) N-propan-2-ylcarbamate
CID 44572190
(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
[3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate
CID 69172795
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
CID 117060576
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098
phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate
CID 81360922
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylphenyl) N-propan-2-ylcarbamate?
The IUPAC name of (3-propan-2-ylphenyl) N-propan-2-ylcarbamate (CID 127551398) is (3-propan-2-ylphenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (3-propan-2-ylphenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (3-propan-2-ylphenyl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1cccc(C(C)C)c1.
What is the InChIKey of (3-propan-2-ylphenyl) N-propan-2-ylcarbamate?
The InChIKey is OXMFIHVDRHPYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)11-6-5-7-12(8-11)16-13(15)14-10(3)4/h5-10H,1-4H3,(H,14,15).
What are the key properties of (3-propan-2-ylphenyl) N-propan-2-ylcarbamate?
(3-propan-2-ylphenyl) N-propan-2-ylcarbamate has a molecular weight of 221.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylphenyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 127551398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).