N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide

C32H42N2O4 — CID 42726465

IUPACN-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
SMILESCCCCCCCCCCCC(=O)NCCCN(C(=O)c1ccco1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C32H42N2O4/c1-2-3-4-5-6-7-8-9-13-19-31(35)33-24-15-25-34(32(36)30-18-14-26-37-30)27-20-22-29(23-21-27)38-28-16-11-10-12-17-28/h10-12,14,16-18,20-23,26H,2-9,13,15,19,24-25H2,1H3,(H,33,35)
InChIKeyNKOLBZNDROUERQ-UHFFFAOYSA-N
MW518.70 g/mol
LogP8.15
Rot. Bonds18

About N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide

N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide (PubChem CID 42726465) has the molecular formula C32H42N2O4 and a molecular weight of 518.70 g/mol. Its IUPAC name is N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
PubChem CID42726465
Molecular FormulaC32H42N2O4
Molecular Weight518.70 g/mol
Exact Mass518.31
IUPAC NameN-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
SMILESCCCCCCCCCCCC(=O)NCCCN(C(=O)c1ccco1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C32H42N2O4/c1-2-3-4-5-6-7-8-9-13-19-31(35)33-24-15-25-34(32(36)30-18-14-26-37-30)27-20-22-29(23-21-27)38-28-16-11-10-12-17-28/h10-12,14,16-18,20-23,26H,2-9,13,15,19,24-25H2,1H3,(H,33,35)
InChIKeyNKOLBZNDROUERQ-UHFFFAOYSA-N
XLogP8.15
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 58.15
H-Bond Donors ≤ 51
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-[(2,2-dichloroacetyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 42726275
N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 42726086
N-[3-[N-[(3-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]heptanamide
CID 42705829
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
CID 113062542
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-[3-(pentanoylamino)propyl]-N-phenylbenzamide
CID 42705905
2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide
CID 113177439
N-[2-(octanoylamino)ethyl]-N-phenylbenzamide
CID 42704591
3-[N-(furan-2-carbonyl)anilino]propanoic acid
CID 28764053
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide
CID 42726504
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113132275
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840

Frequently Asked Questions

What is the IUPAC name of N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide (CID 42726465) is N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide is CCCCCCCCCCCC(=O)NCCCN(C(=O)c1ccco1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide?
The InChIKey is NKOLBZNDROUERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O4/c1-2-3-4-5-6-7-8-9-13-19-31(35)33-24-15-25-34(32(36)30-18-14-26-37-30)27-20-22-29(23-21-27)38-28-16-11-10-12-17-28/h10-12,14,16-18,20-23,26H,2-9,13,15,19,24-25H2,1H3,(H,33,35).
What are the key properties of N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide?
N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide has a molecular weight of 518.70 g/mol, XLogP of 8.15, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 42726465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).