N-butyl-3-(furan-2-ylmethylamino)propanamide

C12H20N2O2 — CID 109012191

IUPACN-butyl-3-(furan-2-ylmethylamino)propanamide
SMILESCCCCNC(=O)CCNCc1ccco1
InChIInChI=1S/C12H20N2O2/c1-2-3-7-14-12(15)6-8-13-10-11-5-4-9-16-11/h4-5,9,13H,2-3,6-8,10H2,1H3,(H,14,15)
InChIKeyCEMOIGLUJHQUJT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.68
Rot. Bonds8

About N-butyl-3-(furan-2-ylmethylamino)propanamide

N-butyl-3-(furan-2-ylmethylamino)propanamide (PubChem CID 109012191) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-butyl-3-(furan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-butyl-3-(furan-2-ylmethylamino)propanamide
PubChem CID109012191
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-butyl-3-(furan-2-ylmethylamino)propanamide
SMILESCCCCNC(=O)CCNCc1ccco1
InChIInChI=1S/C12H20N2O2/c1-2-3-7-14-12(15)6-8-13-10-11-5-4-9-16-11/h4-5,9,13H,2-3,6-8,10H2,1H3,(H,14,15)
InChIKeyCEMOIGLUJHQUJT-UHFFFAOYSA-N
XLogP1.68
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-3-(furan-2-ylmethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 109011813
3-(ethylamino)-N-[2-(furan-2-yl)ethyl]propanamide
CID 62831565
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809
3-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 110934465
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
CID 109014635
4-(furan-2-ylmethylamino)butanehydrazide
CID 30031566
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(furan-2-ylmethylamino)propanamide?
The IUPAC name of N-butyl-3-(furan-2-ylmethylamino)propanamide (CID 109012191) is N-butyl-3-(furan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-butyl-3-(furan-2-ylmethylamino)propanamide?
The canonical SMILES for N-butyl-3-(furan-2-ylmethylamino)propanamide is CCCCNC(=O)CCNCc1ccco1.
What is the InChIKey of N-butyl-3-(furan-2-ylmethylamino)propanamide?
The InChIKey is CEMOIGLUJHQUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-3-7-14-12(15)6-8-13-10-11-5-4-9-16-11/h4-5,9,13H,2-3,6-8,10H2,1H3,(H,14,15).
What are the key properties of N-butyl-3-(furan-2-ylmethylamino)propanamide?
N-butyl-3-(furan-2-ylmethylamino)propanamide has a molecular weight of 224.30 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(furan-2-ylmethylamino)propanamide is sourced from PubChem (CID 109012191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).