N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide

C18H23N3O3 — CID 54832198

IUPACN-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H23N3O3/c1-2-3-10-19-18(23)14-6-8-15(9-7-14)20-13-17(22)21-12-16-5-4-11-24-16/h4-9,11,20H,2-3,10,12-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyZVFMQIQCPNETRM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.54
Rot. Bonds9

About N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide

N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide (PubChem CID 54832198) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
PubChem CID54832198
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H23N3O3/c1-2-3-10-19-18(23)14-6-8-15(9-7-14)20-13-17(22)21-12-16-5-4-11-24-16/h4-9,11,20H,2-3,10,12-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyZVFMQIQCPNETRM-UHFFFAOYSA-N
XLogP2.54
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide 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

3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide
CID 54789414

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide (CID 54832198) is N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide is CCCCNC(=O)c1ccc(NCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is ZVFMQIQCPNETRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-3-10-19-18(23)14-6-8-15(9-7-14)20-13-17(22)21-12-16-5-4-11-24-16/h4-9,11,20H,2-3,10,12-13H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide?
N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54832198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).