N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide

C14H22N2O3 — CID 115612648

IUPACN-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
SMILESCCC(CC)CNC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C14H22N2O3/c1-3-11(4-2)10-16-13(17)7-8-15-14(18)12-6-5-9-19-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIQJFNICOYPTQOC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.95
Rot. Bonds8

About N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide

N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 115612648) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
PubChem CID115612648
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
SMILESCCC(CC)CNC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C14H22N2O3/c1-3-11(4-2)10-16-13(17)7-8-15-14(18)12-6-5-9-19-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIQJFNICOYPTQOC-UHFFFAOYSA-N
XLogP1.95
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 42958354
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 111460641
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243012
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 46592129
(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 103876816
N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 106164627
N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 64555440

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide (CID 115612648) is N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide is CCC(CC)CNC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is IQJFNICOYPTQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-11(4-2)10-16-13(17)7-8-15-14(18)12-6-5-9-19-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 115612648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).