2-methylpropyl N,N-di(propan-2-yl)carbamate

C11H23NO2 — CID 52921001

IUPAC2-methylpropyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)7-14-11(13)12(9(3)4)10(5)6/h8-10H,7H2,1-6H3
InChIKeyFLHIACVLZLMEPA-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.90
Rot. Bonds4

About 2-methylpropyl N,N-di(propan-2-yl)carbamate

2-methylpropyl N,N-di(propan-2-yl)carbamate (PubChem CID 52921001) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methylpropyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N,N-di(propan-2-yl)carbamate
PubChem CID52921001
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methylpropyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)7-14-11(13)12(9(3)4)10(5)6/h8-10H,7H2,1-6H3
InChIKeyFLHIACVLZLMEPA-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl-N,N-di-n-butyl carbamate
CID 16674
Carbamic acid, dipropyl-, ethyl ester
CID 23416
Ethyl diisopropylcarbamate
CID 30213
Carbamic acid, bis(1-methylethyl)-, methyl ester
CID 568417
2,2,2-tribromoethyl N,N-di(propan-2-yl)carbamate
CID 86208200
Propan-2-yl diethylcarbamate
CID 231820
Butyl diethylcarbamate
CID 10241277
prop-2-ynyl N,N-di(propan-2-yl)carbamate
CID 10997697
N-butylethylurethane
CID 21523735
2,2-difluoroethyl N,N-di(propan-2-yl)carbamate
CID 11020115
2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate
CID 88877649
2-fluoroethyl N-tert-butyl-N-ethylcarbamate
CID 88877662

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N,N-di(propan-2-yl)carbamate (CID 52921001) is 2-methylpropyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N,N-di(propan-2-yl)carbamate is CC(C)COC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-methylpropyl N,N-di(propan-2-yl)carbamate?
The InChIKey is FLHIACVLZLMEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)7-14-11(13)12(9(3)4)10(5)6/h8-10H,7H2,1-6H3.
What are the key properties of 2-methylpropyl N,N-di(propan-2-yl)carbamate?
2-methylpropyl N,N-di(propan-2-yl)carbamate has a molecular weight of 201.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 52921001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).