N-(azepan-3-yl)-2-ethylfuran-3-carboxamide

C13H20N2O2 — CID 114103336

IUPACN-(azepan-3-yl)-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NC1CCCCNC1
InChIInChI=1S/C13H20N2O2/c1-2-12-11(6-8-17-12)13(16)15-10-5-3-4-7-14-9-10/h6,8,10,14H,2-5,7,9H2,1H3,(H,15,16)
InChIKeyXHHAEYZZEGXKCG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.71
Rot. Bonds3

About N-(azepan-3-yl)-2-ethylfuran-3-carboxamide

N-(azepan-3-yl)-2-ethylfuran-3-carboxamide (PubChem CID 114103336) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(azepan-3-yl)-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(azepan-3-yl)-2-ethylfuran-3-carboxamide
PubChem CID114103336
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(azepan-3-yl)-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NC1CCCCNC1
InChIInChI=1S/C13H20N2O2/c1-2-12-11(6-8-17-12)13(16)15-10-5-3-4-7-14-9-10/h6,8,10,14H,2-5,7,9H2,1H3,(H,15,16)
InChIKeyXHHAEYZZEGXKCG-UHFFFAOYSA-N
XLogP1.71
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
5-ethyl-4-methyl-N-piperidin-3-ylfuran-2-carboxamide;hydrochloride
CID 91659642
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide
CID 146091047
N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide
CID 114103038
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
2-amino-N-cyclopentylfuran-3-carboxamide
CID 117213301
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133
2-amino-N-piperidin-3-ylbenzamide
CID 70159342

Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-2-ethylfuran-3-carboxamide?
The IUPAC name of N-(azepan-3-yl)-2-ethylfuran-3-carboxamide (CID 114103336) is N-(azepan-3-yl)-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-(azepan-3-yl)-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-(azepan-3-yl)-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)NC1CCCCNC1.
What is the InChIKey of N-(azepan-3-yl)-2-ethylfuran-3-carboxamide?
The InChIKey is XHHAEYZZEGXKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-12-11(6-8-17-12)13(16)15-10-5-3-4-7-14-9-10/h6,8,10,14H,2-5,7,9H2,1H3,(H,15,16).
What are the key properties of N-(azepan-3-yl)-2-ethylfuran-3-carboxamide?
N-(azepan-3-yl)-2-ethylfuran-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 114103336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).