N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide

C14H20N2O3 — CID 60715665

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)N1CCCCCC1)C(=O)c1ccco1
InChIInChI=1S/C14H20N2O3/c1-15(14(18)12-7-6-10-19-12)11-13(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyAHBWBLUNOOAJAF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.75
Rot. Bonds3

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 60715665) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID60715665
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)N1CCCCCC1)C(=O)c1ccco1
InChIInChI=1S/C14H20N2O3/c1-15(14(18)12-7-6-10-19-12)11-13(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyAHBWBLUNOOAJAF-UHFFFAOYSA-N
XLogP1.75
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid
CID 64603352
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146805
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 30396658
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 33283616
N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
CID 76928863
N-methyl-N-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]furan-2-carboxamide
CID 94635248
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 60715665) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)N1CCCCCC1)C(=O)c1ccco1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is AHBWBLUNOOAJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(14(18)12-7-6-10-19-12)11-13(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 60715665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).