N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide

C12H18N2O4 — CID 108943248

IUPACN'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)NCc1ccco1
InChIInChI=1S/C12H18N2O4/c1-17-6-3-5-13-11(15)8-12(16)14-9-10-4-2-7-18-10/h2,4,7H,3,5-6,8-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyRQHALQYRYKWASZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.44
Rot. Bonds8

About N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide

N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide (PubChem CID 108943248) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
PubChem CID108943248
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)NCc1ccco1
InChIInChI=1S/C12H18N2O4/c1-17-6-3-5-13-11(15)8-12(16)14-9-10-4-2-7-18-10/h2,4,7H,3,5-6,8-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyRQHALQYRYKWASZ-UHFFFAOYSA-N
XLogP0.44
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide;oxalic acid
CID 175652948
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54818743
2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 110933659
6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate
CID 101203083
N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059880
N-(3-butoxypropyl)-2-(furan-2-yl)acetamide
CID 110484658
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
CID 108945055
4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206035

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide?
The IUPAC name of N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide (CID 108943248) is N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide is COCCCNC(=O)CC(=O)NCc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide?
The InChIKey is RQHALQYRYKWASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-6-3-5-13-11(15)8-12(16)14-9-10-4-2-7-18-10/h2,4,7H,3,5-6,8-9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide?
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide has a molecular weight of 254.29 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide is sourced from PubChem (CID 108943248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).