N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide

C12H16N2O3 — CID 110196443

IUPACN-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide
SMILESO=C1CCCCC(CNC(=O)c2ccoc2)N1
InChIInChI=1S/C12H16N2O3/c15-11-4-2-1-3-10(14-11)7-13-12(16)9-5-6-17-8-9/h5-6,8,10H,1-4,7H2,(H,13,16)(H,14,15)
InChIKeyXLNWUFSNUOQJRO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.07
Rot. Bonds3

About N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide

N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide (PubChem CID 110196443) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide
PubChem CID110196443
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide
SMILESO=C1CCCCC(CNC(=O)c2ccoc2)N1
InChIInChI=1S/C12H16N2O3/c15-11-4-2-1-3-10(14-11)7-13-12(16)9-5-6-17-8-9/h5-6,8,10H,1-4,7H2,(H,13,16)(H,14,15)
InChIKeyXLNWUFSNUOQJRO-UHFFFAOYSA-N
XLogP1.07
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide?
The IUPAC name of N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide (CID 110196443) is N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide is O=C1CCCCC(CNC(=O)c2ccoc2)N1.
What is the InChIKey of N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide?
The InChIKey is XLNWUFSNUOQJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-4-2-1-3-10(14-11)7-13-12(16)9-5-6-17-8-9/h5-6,8,10H,1-4,7H2,(H,13,16)(H,14,15).
What are the key properties of N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide?
N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-oxoazepan-2-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 110196443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).