N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide

C12H17NO3 — CID 64866996

IUPACN-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccco1
InChIInChI=1S/C12H17NO3/c14-11(10-5-4-8-16-10)13-9-12(15)6-2-1-3-7-12/h4-5,8,15H,1-3,6-7,9H2,(H,13,14)
InChIKeyFBRRUZAZKPJIJK-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.70
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide

N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide (PubChem CID 64866996) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
PubChem CID64866996
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccco1
InChIInChI=1S/C12H17NO3/c14-11(10-5-4-8-16-10)13-9-12(15)6-2-1-3-7-12/h4-5,8,15H,1-3,6-7,9H2,(H,13,14)
InChIKeyFBRRUZAZKPJIJK-UHFFFAOYSA-N
XLogP1.70
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]furan-2-carboxamide
CID 119404531
N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 111445635
N-[(1-methylcyclobutyl)methyl]furan-2-carboxamide
CID 103737372
N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 111445302
N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 65123055
4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119130378
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide
CID 134161530
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
N-(1-cyanocyclooctyl)furan-2-carboxamide
CID 54904517
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide (CID 64866996) is N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide is O=C(NCC1(O)CCCCC1)c1ccco1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide?
The InChIKey is FBRRUZAZKPJIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-11(10-5-4-8-16-10)13-9-12(15)6-2-1-3-7-12/h4-5,8,15H,1-3,6-7,9H2,(H,13,14).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 64866996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).