N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide

C20H34N4O4 — CID 10178769

IUPACN-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide
SMILESCC(C)CC(NC(=O)C1CCCCCC1)C(=O)c1noc(OCCN(C)C)n1
InChIInChI=1S/C20H34N4O4/c1-14(2)13-16(21-19(26)15-9-7-5-6-8-10-15)17(25)18-22-20(28-23-18)27-12-11-24(3)4/h14-16H,5-13H2,1-4H3,(H,21,26)
InChIKeyKZQSWXDTRRGWEU-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.69
Rot. Bonds10

About N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide

N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide (PubChem CID 10178769) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide
PubChem CID10178769
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC NameN-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide
SMILESCC(C)CC(NC(=O)C1CCCCCC1)C(=O)c1noc(OCCN(C)C)n1
InChIInChI=1S/C20H34N4O4/c1-14(2)13-16(21-19(26)15-9-7-5-6-8-10-15)17(25)18-22-20(28-23-18)27-12-11-24(3)4/h14-16H,5-13H2,1-4H3,(H,21,26)
InChIKeyKZQSWXDTRRGWEU-UHFFFAOYSA-N
XLogP2.69
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 10158267
N-[4-methyl-1-oxo-1-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]cyclohexanecarboxamide
CID 58760262
N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 40516545
N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide
CID 20791351
N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 158527991
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43039188
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514
N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
CID 176960465

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide?
The IUPAC name of N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide (CID 10178769) is N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide.
What is the SMILES notation for N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide?
The canonical SMILES for N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide is CC(C)CC(NC(=O)C1CCCCCC1)C(=O)c1noc(OCCN(C)C)n1.
What is the InChIKey of N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide?
The InChIKey is KZQSWXDTRRGWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-14(2)13-16(21-19(26)15-9-7-5-6-8-10-15)17(25)18-22-20(28-23-18)27-12-11-24(3)4/h14-16H,5-13H2,1-4H3,(H,21,26).
What are the key properties of N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide?
N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide is sourced from PubChem (CID 10178769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).