N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide

C16H18N2O3 — CID 112981777

IUPACN-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NCc2ccco2)cc1)C1CCCO1
InChIInChI=1S/C16H18N2O3/c19-16(15-4-2-10-21-15)18-13-7-5-12(6-8-13)17-11-14-3-1-9-20-14/h1,3,5-9,15,17H,2,4,10-11H2,(H,18,19)
InChIKeyCNEBUTPDIPHENW-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.01
Rot. Bonds5

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

N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide (PubChem CID 112981777) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide
PubChem CID112981777
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NCc2ccco2)cc1)C1CCCO1
InChIInChI=1S/C16H18N2O3/c19-16(15-4-2-10-21-15)18-13-7-5-12(6-8-13)17-11-14-3-1-9-20-14/h1,3,5-9,15,17H,2,4,10-11H2,(H,18,19)
InChIKeyCNEBUTPDIPHENW-UHFFFAOYSA-N
XLogP3.01
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyloxolane-2-carboxamide
CID 3453643
N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 24791649
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
(2S)-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94020588
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide
CID 860518
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide (CID 112981777) is N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(NCc2ccco2)cc1)C1CCCO1.
What is the InChIKey of N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide?
The InChIKey is CNEBUTPDIPHENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(15-4-2-10-21-15)18-13-7-5-12(6-8-13)17-11-14-3-1-9-20-14/h1,3,5-9,15,17H,2,4,10-11H2,(H,18,19).
What are the key properties of N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide?
N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 112981777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).