N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide

C17H21N3O3 — CID 54843687

IUPACN-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCCCCNC(=O)CNc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C17H21N3O3/c1-2-3-9-18-16(21)12-19-13-6-4-7-14(11-13)20-17(22)15-8-5-10-23-15/h4-8,10-11,19H,2-3,9,12H2,1H3,(H,18,21)(H,20,22)
InChIKeyUUTOUTIUOGGLRD-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.86
Rot. Bonds8

About N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843687) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843687
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCCCCNC(=O)CNc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C17H21N3O3/c1-2-3-9-18-16(21)12-19-13-6-4-7-14(11-13)20-17(22)15-8-5-10-23-15/h4-8,10-11,19H,2-3,9,12H2,1H3,(H,18,21)(H,20,22)
InChIKeyUUTOUTIUOGGLRD-UHFFFAOYSA-N
XLogP2.86
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843294
N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843293
N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54814790
N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843328
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843268
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843320
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[3-[[(N'-methyl-N-pentylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 111128629
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54834446

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (CID 54843687) is N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is CCCCNC(=O)CNc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is UUTOUTIUOGGLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-3-9-18-16(21)12-19-13-6-4-7-14(11-13)20-17(22)15-8-5-10-23-15/h4-8,10-11,19H,2-3,9,12H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).