4-(furan-3-ylmethylamino)-N-methylbutanamide

C10H16N2O2 — CID 115607627

IUPAC4-(furan-3-ylmethylamino)-N-methylbutanamide
SMILESCNC(=O)CCCNCc1ccoc1
InChIInChI=1S/C10H16N2O2/c1-11-10(13)3-2-5-12-7-9-4-6-14-8-9/h4,6,8,12H,2-3,5,7H2,1H3,(H,11,13)
InChIKeyGXVPSSAXVYXKIC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.90
Rot. Bonds6

About 4-(furan-3-ylmethylamino)-N-methylbutanamide

4-(furan-3-ylmethylamino)-N-methylbutanamide (PubChem CID 115607627) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(furan-3-ylmethylamino)-N-methylbutanamide.

Molecular Properties

Compound Name4-(furan-3-ylmethylamino)-N-methylbutanamide
PubChem CID115607627
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(furan-3-ylmethylamino)-N-methylbutanamide
SMILESCNC(=O)CCCNCc1ccoc1
InChIInChI=1S/C10H16N2O2/c1-11-10(13)3-2-5-12-7-9-4-6-14-8-9/h4,6,8,12H,2-3,5,7H2,1H3,(H,11,13)
InChIKeyGXVPSSAXVYXKIC-UHFFFAOYSA-N
XLogP0.90
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.90
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

3-(furan-3-ylmethylamino)-N-methylpropanamide
CID 63204466
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
N-cyclopropyl-3-(furan-3-ylmethylamino)propanamide
CID 78921552
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867
N-(furan-3-ylmethyl)hept-6-en-1-amine
CID 107007166
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
2-(furan-3-ylmethylamino)acetic acid
CID 63204531
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine
CID 79038889
4-[3-(benzylamino)propoxy]-N-methylbutanamide
CID 114782847
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethylamino)-N-methylbutanamide?
The IUPAC name of 4-(furan-3-ylmethylamino)-N-methylbutanamide (CID 115607627) is 4-(furan-3-ylmethylamino)-N-methylbutanamide.
What is the SMILES notation for 4-(furan-3-ylmethylamino)-N-methylbutanamide?
The canonical SMILES for 4-(furan-3-ylmethylamino)-N-methylbutanamide is CNC(=O)CCCNCc1ccoc1.
What is the InChIKey of 4-(furan-3-ylmethylamino)-N-methylbutanamide?
The InChIKey is GXVPSSAXVYXKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-11-10(13)3-2-5-12-7-9-4-6-14-8-9/h4,6,8,12H,2-3,5,7H2,1H3,(H,11,13).
What are the key properties of 4-(furan-3-ylmethylamino)-N-methylbutanamide?
4-(furan-3-ylmethylamino)-N-methylbutanamide has a molecular weight of 196.25 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylmethylamino)-N-methylbutanamide is sourced from PubChem (CID 115607627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).