5-[(cyclohexylamino)methyl]furan-2-carboxamide

C12H18N2O2 — CID 115672619

IUPAC5-[(cyclohexylamino)methyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(CNC2CCCCC2)o1
InChIInChI=1S/C12H18N2O2/c13-12(15)11-7-6-10(16-11)8-14-9-4-2-1-3-5-9/h6-7,9,14H,1-5,8H2,(H2,13,15)
InChIKeyUWLAQFLKXVDDSE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.80
Rot. Bonds4

About 5-[(cyclohexylamino)methyl]furan-2-carboxamide

5-[(cyclohexylamino)methyl]furan-2-carboxamide (PubChem CID 115672619) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-[(cyclohexylamino)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(cyclohexylamino)methyl]furan-2-carboxamide
PubChem CID115672619
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-[(cyclohexylamino)methyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(CNC2CCCCC2)o1
InChIInChI=1S/C12H18N2O2/c13-12(15)11-7-6-10(16-11)8-14-9-4-2-1-3-5-9/h6-7,9,14H,1-5,8H2,(H2,13,15)
InChIKeyUWLAQFLKXVDDSE-UHFFFAOYSA-N
XLogP1.80
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate
CID 101224558
5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
CID 63359979
N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide
CID 119343567
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
5-[(cyclopentylamino)methyl]pyridine-2-carboxamide
CID 115685055
5-[[(2-hydroxycyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 63317622
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
ethyl 4-[5-[(cyclohexylamino)methyl]furan-2-yl]benzoate
CID 4722636
methyl 5-[(thian-3-ylamino)methyl]furan-2-carboxylate
CID 115882141
4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide
CID 43433249
ethyl 4-[5-[(cycloheptylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17331161
methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 64743370

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclohexylamino)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(cyclohexylamino)methyl]furan-2-carboxamide (CID 115672619) is 5-[(cyclohexylamino)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(cyclohexylamino)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(cyclohexylamino)methyl]furan-2-carboxamide is NC(=O)c1ccc(CNC2CCCCC2)o1.
What is the InChIKey of 5-[(cyclohexylamino)methyl]furan-2-carboxamide?
The InChIKey is UWLAQFLKXVDDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-12(15)11-7-6-10(16-11)8-14-9-4-2-1-3-5-9/h6-7,9,14H,1-5,8H2,(H2,13,15).
What are the key properties of 5-[(cyclohexylamino)methyl]furan-2-carboxamide?
5-[(cyclohexylamino)methyl]furan-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclohexylamino)methyl]furan-2-carboxamide is sourced from PubChem (CID 115672619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).