N-butyl-N'-(furan-2-ylmethyl)butanediamide

C13H20N2O3 — CID 3970511

IUPACN-butyl-N'-(furan-2-ylmethyl)butanediamide
SMILESCCCCNC(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C13H20N2O3/c1-2-3-8-14-12(16)6-7-13(17)15-10-11-5-4-9-18-11/h4-5,9H,2-3,6-8,10H2,1H3,(H,14,16)(H,15,17)
InChIKeyKVBIOTGRLRPTGM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.59
Rot. Bonds8

About N-butyl-N'-(furan-2-ylmethyl)butanediamide

N-butyl-N'-(furan-2-ylmethyl)butanediamide (PubChem CID 3970511) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-butyl-N'-(furan-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN-butyl-N'-(furan-2-ylmethyl)butanediamide
PubChem CID3970511
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-butyl-N'-(furan-2-ylmethyl)butanediamide
SMILESCCCCNC(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C13H20N2O3/c1-2-3-8-14-12(16)6-7-13(17)15-10-11-5-4-9-18-11/h4-5,9H,2-3,6-8,10H2,1H3,(H,14,16)(H,15,17)
InChIKeyKVBIOTGRLRPTGM-UHFFFAOYSA-N
XLogP1.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54832198
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate
CID 101203083
3-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 110934465
1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109134849
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(furan-2-ylmethyl)butanediamide?
The IUPAC name of N-butyl-N'-(furan-2-ylmethyl)butanediamide (CID 3970511) is N-butyl-N'-(furan-2-ylmethyl)butanediamide.
What is the SMILES notation for N-butyl-N'-(furan-2-ylmethyl)butanediamide?
The canonical SMILES for N-butyl-N'-(furan-2-ylmethyl)butanediamide is CCCCNC(=O)CCC(=O)NCc1ccco1.
What is the InChIKey of N-butyl-N'-(furan-2-ylmethyl)butanediamide?
The InChIKey is KVBIOTGRLRPTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-3-8-14-12(16)6-7-13(17)15-10-11-5-4-9-18-11/h4-5,9H,2-3,6-8,10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-butyl-N'-(furan-2-ylmethyl)butanediamide?
N-butyl-N'-(furan-2-ylmethyl)butanediamide has a molecular weight of 252.31 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(furan-2-ylmethyl)butanediamide is sourced from PubChem (CID 3970511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).