N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide

C19H24N2O3 — CID 804751

IUPACN-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide
SMILESCCCC(CCC)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H24N2O3/c1-3-6-14(7-4-2)18(22)20-15-9-11-16(12-10-15)21-19(23)17-8-5-13-24-17/h5,8-14H,3-4,6-7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZKXCTCHOPCHWTP-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.69
Rot. Bonds8

About N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide

N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide (PubChem CID 804751) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide
PubChem CID804751
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide
SMILESCCCC(CCC)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H24N2O3/c1-3-6-14(7-4-2)18(22)20-15-9-11-16(12-10-15)21-19(23)17-8-5-13-24-17/h5,8-14H,3-4,6-7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZKXCTCHOPCHWTP-UHFFFAOYSA-N
XLogP4.69
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993265
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658
N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 22777979
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide (CID 804751) is N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide is CCCC(CCC)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is ZKXCTCHOPCHWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-6-14(7-4-2)18(22)20-15-9-11-16(12-10-15)21-19(23)17-8-5-13-24-17/h5,8-14H,3-4,6-7H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide?
N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 804751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).