N-(2-aminocycloheptyl)furan-3-carboxamide

C12H18N2O2 — CID 63258203

IUPACN-(2-aminocycloheptyl)furan-3-carboxamide
SMILESNC1CCCCCC1NC(=O)c1ccoc1
InChIInChI=1S/C12H18N2O2/c13-10-4-2-1-3-5-11(10)14-12(15)9-6-7-16-8-9/h6-8,10-11H,1-5,13H2,(H,14,15)
InChIKeyHKYUDLAQWOEBQJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.67
Rot. Bonds2

About N-(2-aminocycloheptyl)furan-3-carboxamide

N-(2-aminocycloheptyl)furan-3-carboxamide (PubChem CID 63258203) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)furan-3-carboxamide
PubChem CID63258203
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-aminocycloheptyl)furan-3-carboxamide
SMILESNC1CCCCCC1NC(=O)c1ccoc1
InChIInChI=1S/C12H18N2O2/c13-10-4-2-1-3-5-11(10)14-12(15)9-6-7-16-8-9/h6-8,10-11H,1-5,13H2,(H,14,15)
InChIKeyHKYUDLAQWOEBQJ-UHFFFAOYSA-N
XLogP1.67
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 64812899
N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
CID 106366425
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248
N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
CID 114821924
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
CID 63258010
N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide
CID 63258076
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
N-(2-aminocyclohexyl)quinoxaline-6-carboxamide
CID 62875728
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)furan-3-carboxamide?
The IUPAC name of N-(2-aminocycloheptyl)furan-3-carboxamide (CID 63258203) is N-(2-aminocycloheptyl)furan-3-carboxamide.
What is the SMILES notation for N-(2-aminocycloheptyl)furan-3-carboxamide?
The canonical SMILES for N-(2-aminocycloheptyl)furan-3-carboxamide is NC1CCCCCC1NC(=O)c1ccoc1.
What is the InChIKey of N-(2-aminocycloheptyl)furan-3-carboxamide?
The InChIKey is HKYUDLAQWOEBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-10-4-2-1-3-5-11(10)14-12(15)9-6-7-16-8-9/h6-8,10-11H,1-5,13H2,(H,14,15).
What are the key properties of N-(2-aminocycloheptyl)furan-3-carboxamide?
N-(2-aminocycloheptyl)furan-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)furan-3-carboxamide is sourced from PubChem (CID 63258203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).