N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide

C13H20N2O4 — CID 111102313

IUPACN-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
SMILESCCNC(=O)CCCC(=O)NCC(O)c1ccco1
InChIInChI=1S/C13H20N2O4/c1-2-14-12(17)6-3-7-13(18)15-9-10(16)11-5-4-8-19-11/h4-5,8,10,16H,2-3,6-7,9H2,1H3,(H,14,17)(H,15,18)
InChIKeyGJUHIQFEGOBPAQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.74
Rot. Bonds8

About N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide

N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide (PubChem CID 111102313) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
PubChem CID111102313
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
SMILESCCNC(=O)CCCC(=O)NCC(O)c1ccco1
InChIInChI=1S/C13H20N2O4/c1-2-14-12(17)6-3-7-13(18)15-9-10(16)11-5-4-8-19-11/h4-5,8,10,16H,2-3,6-7,9H2,1H3,(H,14,17)(H,15,18)
InChIKeyGJUHIQFEGOBPAQ-UHFFFAOYSA-N
XLogP0.74
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide
CID 110889375
5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide
CID 87016967
4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
CID 86850793
3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide
CID 110891752
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110899131
3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889052
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 110921907
2-(2-ethylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 86981092

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide?
The IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide (CID 111102313) is N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide.
What is the SMILES notation for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide?
The canonical SMILES for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide is CCNC(=O)CCCC(=O)NCC(O)c1ccco1.
What is the InChIKey of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide?
The InChIKey is GJUHIQFEGOBPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-14-12(17)6-3-7-13(18)15-9-10(16)11-5-4-8-19-11/h4-5,8,10,16H,2-3,6-7,9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide?
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide has a molecular weight of 268.31 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide is sourced from PubChem (CID 111102313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).