ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate

C11H17NO3 — CID 60651451

IUPACethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
SMILESCCOC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C11H17NO3/c1-3-14-11(13)12-9(2)6-7-10-5-4-8-15-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyQEUUDGVNMIJZJE-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.35
Rot. Bonds5

About ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate

ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate (PubChem CID 60651451) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
PubChem CID60651451
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
SMILESCCOC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C11H17NO3/c1-3-14-11(13)12-9(2)6-7-10-5-4-8-15-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyQEUUDGVNMIJZJE-UHFFFAOYSA-N
XLogP2.35
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
CID 83042042
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
CID 68697822
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
2-[4-(furan-2-yl)butan-2-ylamino]oxyacetamide
CID 112673041
ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 38924524

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate (CID 60651451) is ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate is CCOC(=O)NC(C)CCc1ccco1.
What is the InChIKey of ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate?
The InChIKey is QEUUDGVNMIJZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-14-11(13)12-9(2)6-7-10-5-4-8-15-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate?
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate has a molecular weight of 211.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate is sourced from PubChem (CID 60651451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).