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

C9H19NO2 — CID 30213

IUPACethyl N,N-di(propan-2-yl)carbamate
SMILESCCOC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H19NO2/c1-6-12-9(11)10(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKeyLRJHYQLNLMGEPR-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.26
Rot. Bonds3

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

ethyl N,N-di(propan-2-yl)carbamate (PubChem CID 30213) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N,N-di(propan-2-yl)carbamate
PubChem CID30213
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl N,N-di(propan-2-yl)carbamate
SMILESCCOC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H19NO2/c1-6-12-9(11)10(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKeyLRJHYQLNLMGEPR-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of ethyl N,N-di(propan-2-yl)carbamate (CID 30213) is ethyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for ethyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for ethyl N,N-di(propan-2-yl)carbamate is CCOC(=O)N(C(C)C)C(C)C.
What is the InChIKey of ethyl N,N-di(propan-2-yl)carbamate?
The InChIKey is LRJHYQLNLMGEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-12-9(11)10(7(2)3)8(4)5/h7-8H,6H2,1-5H3.
What are the key properties of ethyl N,N-di(propan-2-yl)carbamate?
ethyl N,N-di(propan-2-yl)carbamate has a molecular weight of 173.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 30213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).