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

C20H26N4O3 — CID 46323990

IUPACN-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCCc1nc(-c2ccc(C(=O)NCC(=O)NC3CCCCCC3)cc2)no1
InChIInChI=1S/C20H26N4O3/c1-2-18-23-19(24-27-18)14-9-11-15(12-10-14)20(26)21-13-17(25)22-16-7-5-3-4-6-8-16/h9-12,16H,2-8,13H2,1H3,(H,21,26)(H,22,25)
InChIKeyUDMICDUKYXQZDR-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.87
Rot. Bonds6

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

N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 46323990) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID46323990
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCCc1nc(-c2ccc(C(=O)NCC(=O)NC3CCCCCC3)cc2)no1
InChIInChI=1S/C20H26N4O3/c1-2-18-23-19(24-27-18)14-9-11-15(12-10-14)20(26)21-13-17(25)22-16-7-5-3-4-6-8-16/h9-12,16H,2-8,13H2,1H3,(H,21,26)(H,22,25)
InChIKeyUDMICDUKYXQZDR-UHFFFAOYSA-N
XLogP2.87
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323993
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 8964239
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780544
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 47172514
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide
CID 50780617
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780349
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
CID 39896911
N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 46276348

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide (CID 46323990) is N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide is CCc1nc(-c2ccc(C(=O)NCC(=O)NC3CCCCCC3)cc2)no1.
What is the InChIKey of N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is UDMICDUKYXQZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-18-23-19(24-27-18)14-9-11-15(12-10-14)20(26)21-13-17(25)22-16-7-5-3-4-6-8-16/h9-12,16H,2-8,13H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide?
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 370.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 46323990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).