N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide

C13H18N2O3 — CID 39514014

IUPACN-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1ccoc1
InChIInChI=1S/C13H18N2O3/c16-12-4-2-1-3-7-15(12)8-6-14-13(17)11-5-9-18-10-11/h5,9-10H,1-4,6-8H2,(H,14,17)
InChIKeyLPOCYNIOFATAEK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.41
Rot. Bonds4

About N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide

N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide (PubChem CID 39514014) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
PubChem CID39514014
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1ccoc1
InChIInChI=1S/C13H18N2O3/c16-12-4-2-1-3-7-15(12)8-6-14-13(17)11-5-9-18-10-11/h5,9-10H,1-4,6-8H2,(H,14,17)
InChIKeyLPOCYNIOFATAEK-UHFFFAOYSA-N
XLogP1.41
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide
CID 47191153
3-acetamido-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 110743652
5-bromo-N-[3-(2-oxoazepan-1-yl)propyl]furan-3-carboxamide
CID 154835150
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515011
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515012
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 39513622
1-oxido-N-[3-(2-oxoazepan-1-yl)propyl]pyridin-1-ium-4-carboxamide
CID 134025902
4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 126432469
3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515028
5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 39514484
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide (CID 39514014) is N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide is O=C(NCCN1CCCCCC1=O)c1ccoc1.
What is the InChIKey of N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide?
The InChIKey is LPOCYNIOFATAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12-4-2-1-3-7-15(12)8-6-14-13(17)11-5-9-18-10-11/h5,9-10H,1-4,6-8H2,(H,14,17).
What are the key properties of N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide?
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 39514014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).