ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate

C15H25NO3 — CID 83042042

IUPACethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
SMILESCCCC(NC(C)CCc1ccco1)C(=O)OCC
InChIInChI=1S/C15H25NO3/c1-4-7-14(15(17)18-5-2)16-12(3)9-10-13-8-6-11-19-13/h6,8,11-12,14,16H,4-5,7,9-10H2,1-3H3
InChIKeyYXDCLVWTCITWSJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.92
Rot. Bonds9

About ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate

ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate (PubChem CID 83042042) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
PubChem CID83042042
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
SMILESCCCC(NC(C)CCc1ccco1)C(=O)OCC
InChIInChI=1S/C15H25NO3/c1-4-7-14(15(17)18-5-2)16-12(3)9-10-13-8-6-11-19-13/h6,8,11-12,14,16H,4-5,7,9-10H2,1-3H3
InChIKeyYXDCLVWTCITWSJ-UHFFFAOYSA-N
XLogP2.92
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
2-[4-(furan-2-yl)butan-2-ylamino]oxyacetamide
CID 112673041
2-[4-(furan-2-yl)butan-2-ylamino]-N,4-dimethylpentanamide
CID 43750748
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
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
2-(2,6-dimethylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 18162432

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate?
The IUPAC name of ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate (CID 83042042) is ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate.
What is the SMILES notation for ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate?
The canonical SMILES for ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate is CCCC(NC(C)CCc1ccco1)C(=O)OCC.
What is the InChIKey of ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate?
The InChIKey is YXDCLVWTCITWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-7-14(15(17)18-5-2)16-12(3)9-10-13-8-6-11-19-13/h6,8,11-12,14,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate?
ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate has a molecular weight of 267.37 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate is sourced from PubChem (CID 83042042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).