ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate

C13H28N2O4 — CID 167448544

IUPACethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(C)C.CCOC(=O)NC(C)C
InChIInChI=1S/C7H15NO2.C6H13NO2/c1-5(2)8-7(9)10-6(3)4;1-4-9-6(8)7-5(2)3/h5-6H,1-4H3,(H,8,9);5H,4H2,1-3H3,(H,7,8)
InChIKeyJBVVWNBGZRXTTO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.67
Rot. Bonds4

About ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate

ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate (PubChem CID 167448544) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
PubChem CID167448544
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Nameethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(C)C.CCOC(=O)NC(C)C
InChIInChI=1S/C7H15NO2.C6H13NO2/c1-5(2)8-7(9)10-6(3)4;1-4-9-6(8)7-5(2)3/h5-6H,1-4H3,(H,8,9);5H,4H2,1-3H3,(H,7,8)
InChIKeyJBVVWNBGZRXTTO-UHFFFAOYSA-N
XLogP2.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl N-propan-2-ylcarbamate;tetrabutylazanium
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CID 5001766
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
propan-2-yl N-(5-aminohexan-2-yl)carbamate
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methyl (3R)-3-(ethoxycarbonylamino)butanoate
CID 102236477
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
iodomethyl N-propan-2-ylcarbamate
CID 86715162
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 116657976
propan-2-yl N-(4-aminobutan-2-yl)carbamate
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ethyl N-(1-bromopropan-2-yl)carbamate
CID 174248965

Frequently Asked Questions

What is the IUPAC name of ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate?
The IUPAC name of ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate (CID 167448544) is ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate.
What is the SMILES notation for ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate?
The canonical SMILES for ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate is CC(C)NC(=O)OC(C)C.CCOC(=O)NC(C)C.
What is the InChIKey of ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate?
The InChIKey is JBVVWNBGZRXTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C6H13NO2/c1-5(2)8-7(9)10-6(3)4;1-4-9-6(8)7-5(2)3/h5-6H,1-4H3,(H,8,9);5H,4H2,1-3H3,(H,7,8).
What are the key properties of ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate?
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate has a molecular weight of 276.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate is sourced from PubChem (CID 167448544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).