N'-(furan-2-ylmethyl)-N-propylbutanediamide

C12H18N2O3 — CID 4024516

IUPACN'-(furan-2-ylmethyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C12H18N2O3/c1-2-7-13-11(15)5-6-12(16)14-9-10-4-3-8-17-10/h3-4,8H,2,5-7,9H2,1H3,(H,13,15)(H,14,16)
InChIKeySSDBUSGLGQAIBM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.20
Rot. Bonds7

About N'-(furan-2-ylmethyl)-N-propylbutanediamide

N'-(furan-2-ylmethyl)-N-propylbutanediamide (PubChem CID 4024516) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N-propylbutanediamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N-propylbutanediamide
PubChem CID4024516
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN'-(furan-2-ylmethyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C12H18N2O3/c1-2-7-13-11(15)5-6-12(16)14-9-10-4-3-8-17-10/h3-4,8H,2,5-7,9H2,1H3,(H,13,15)(H,14,16)
InChIKeySSDBUSGLGQAIBM-UHFFFAOYSA-N
XLogP1.20
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
3-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 110934465
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43401459
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate
CID 101203083
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 110297954
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N-propylbutanediamide?
The IUPAC name of N'-(furan-2-ylmethyl)-N-propylbutanediamide (CID 4024516) is N'-(furan-2-ylmethyl)-N-propylbutanediamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N-propylbutanediamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N-propylbutanediamide is CCCNC(=O)CCC(=O)NCc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N-propylbutanediamide?
The InChIKey is SSDBUSGLGQAIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-7-13-11(15)5-6-12(16)14-9-10-4-3-8-17-10/h3-4,8H,2,5-7,9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(furan-2-ylmethyl)-N-propylbutanediamide?
N'-(furan-2-ylmethyl)-N-propylbutanediamide has a molecular weight of 238.29 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N-propylbutanediamide is sourced from PubChem (CID 4024516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).