N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide

C24H32N4O3 — CID 46323993

IUPACN-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(-c2noc(C3CCCC3)n2)cc1)NC1CCCCCCC1
InChIInChI=1S/C24H32N4O3/c29-21(26-20-10-4-2-1-3-5-11-20)16-25-23(30)18-14-12-17(13-15-18)22-27-24(31-28-22)19-8-6-7-9-19/h12-15,19-20H,1-11,16H2,(H,25,30)(H,26,29)
InChIKeyIQHUIZSTJNWLOG-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.35
Rot. Bonds6

About N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide

N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 46323993) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID46323993
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(-c2noc(C3CCCC3)n2)cc1)NC1CCCCCCC1
InChIInChI=1S/C24H32N4O3/c29-21(26-20-10-4-2-1-3-5-11-20)16-25-23(30)18-14-12-17(13-15-18)22-27-24(31-28-22)19-8-6-7-9-19/h12-15,19-20H,1-11,16H2,(H,25,30)(H,26,29)
InChIKeyIQHUIZSTJNWLOG-UHFFFAOYSA-N
XLogP4.35
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323990
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780643
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 50767461
N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 47172514
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152407
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53032993
N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489709
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide (CID 46323993) is N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide is O=C(CNC(=O)c1ccc(-c2noc(C3CCCC3)n2)cc1)NC1CCCCCCC1.
What is the InChIKey of N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is IQHUIZSTJNWLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c29-21(26-20-10-4-2-1-3-5-11-20)16-25-23(30)18-14-12-17(13-15-18)22-27-24(31-28-22)19-8-6-7-9-19/h12-15,19-20H,1-11,16H2,(H,25,30)(H,26,29).
What are the key properties of N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide?
N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 424.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 46323993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).