N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide

C18H16N2O4 — CID 896456

IUPACN-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(CNC(=O)c2ccco2)cc1)c1ccco1
InChIInChI=1S/C18H16N2O4/c21-17(15-3-1-9-23-15)19-11-13-5-7-14(8-6-13)12-20-18(22)16-4-2-10-24-16/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyYZQWSRDGDUZMGO-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.73
Rot. Bonds6

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

N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide (PubChem CID 896456) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide
PubChem CID896456
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(CNC(=O)c2ccco2)cc1)c1ccco1
InChIInChI=1S/C18H16N2O4/c21-17(15-3-1-9-23-15)19-11-13-5-7-14(8-6-13)12-20-18(22)16-4-2-10-24-16/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyYZQWSRDGDUZMGO-UHFFFAOYSA-N
XLogP2.73
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CL82198
CID 2777
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n-(2-Furylmethyl)-2-phenoxyacetamide
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N-benzylfuran-2-carboxamide
CID 347531
N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
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N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
N-{(1Z)-1-(4-chlorophenyl)-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-2-yl}furan-2-carboxamide
CID 1367315
N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide
CID 2305621
N-{2-Furan-2-yl-1-[(furan-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5755140
N-(2-Furanylmethyl)-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide (CID 896456) is N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide is O=C(NCc1ccc(CNC(=O)c2ccco2)cc1)c1ccco1.
What is the InChIKey of N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide?
The InChIKey is YZQWSRDGDUZMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-17(15-3-1-9-23-15)19-11-13-5-7-14(8-6-13)12-20-18(22)16-4-2-10-24-16/h1-10H,11-12H2,(H,19,21)(H,20,22).
What are the key properties of N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide?
N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(furan-2-carbonylamino)methyl]phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 896456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).