N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide

C17H18N2O4 — CID 111445635

IUPACN-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCC1(O)CCC1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H18N2O4/c20-15(18-11-17(22)8-2-9-17)12-4-6-13(7-5-12)19-16(21)14-3-1-10-23-14/h1,3-7,10,22H,2,8-9,11H2,(H,18,20)(H,19,21)
InChIKeyJBDRPZXGPQCDRX-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.18
Rot. Bonds5

About N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 111445635) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID111445635
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCC1(O)CCC1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H18N2O4/c20-15(18-11-17(22)8-2-9-17)12-4-6-13(7-5-12)19-16(21)14-3-1-10-23-14/h1,3-7,10,22H,2,8-9,11H2,(H,18,20)(H,19,21)
InChIKeyJBDRPZXGPQCDRX-UHFFFAOYSA-N
XLogP2.18
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64866996
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
N-[4-[[1-(4-fluorophenyl)cyclopentyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55843746
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9405434
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39856169
N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 26285211
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide (CID 111445635) is N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide is O=C(NCC1(O)CCC1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is JBDRPZXGPQCDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15(18-11-17(22)8-2-9-17)12-4-6-13(7-5-12)19-16(21)14-3-1-10-23-14/h1,3-7,10,22H,2,8-9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 111445635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).