(2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide

C15H22N2O3 — CID 99766904

IUPAC(2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCc2ccc(C)o2)CCCCC(=O)N1
InChIInChI=1S/C15H22N2O3/c1-3-15(9-5-4-6-13(18)17-15)14(19)16-10-12-8-7-11(2)20-12/h7-8H,3-6,9-10H2,1-2H3,(H,16,19)(H,17,18)/t15-/m0/s1
InChIKeyAPAUOQXBBCYVCT-HNNXBMFYSA-N
MW278.35 g/mol
LogP2.04
Rot. Bonds4

About (2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide

(2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide (PubChem CID 99766904) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide
PubChem CID99766904
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCc2ccc(C)o2)CCCCC(=O)N1
InChIInChI=1S/C15H22N2O3/c1-3-15(9-5-4-6-13(18)17-15)14(19)16-10-12-8-7-11(2)20-12/h7-8H,3-6,9-10H2,1-2H3,(H,16,19)(H,17,18)/t15-/m0/s1
InChIKeyAPAUOQXBBCYVCT-HNNXBMFYSA-N
XLogP2.04
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
1-[(N-acetylglycyl)(2-furylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 3240475
2-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 806872
N-(2-oxo-3-azepanyl)-2-furamide
CID 2813196
N-{2-[(4-methylcyclohexyl)amino]ethyl}furan-2-carboxamide
CID 3156885
N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 4561126
N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 9360813
N-cycloheptyl-5-methylfuran-2-carboxamide
CID 897030
N-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 4690796
N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2453274
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 3236595
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 3239152

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide (CID 99766904) is (2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide is CC[C@@]1(C(=O)NCc2ccc(C)o2)CCCCC(=O)N1.
What is the InChIKey of (2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide?
The InChIKey is APAUOQXBBCYVCT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-15(9-5-4-6-13(18)17-15)14(19)16-10-12-8-7-11(2)20-12/h7-8H,3-6,9-10H2,1-2H3,(H,16,19)(H,17,18)/t15-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide?
(2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 99766904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).