N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide

C22H29N3O2 — CID 118762456

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)C1(c2ccc(C)cc2)CC1(C)C
InChIInChI=1S/C22H29N3O2/c1-5-25(13-18-23-19(27-24-18)16-7-6-8-16)20(26)22(14-21(22,3)4)17-11-9-15(2)10-12-17/h9-12,16H,5-8,13-14H2,1-4H3
InChIKeyCDURKOGMEHKICO-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.36
Rot. Bonds6

About N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 118762456) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID118762456
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)C1(c2ccc(C)cc2)CC1(C)C
InChIInChI=1S/C22H29N3O2/c1-5-25(13-18-23-19(27-24-18)16-7-6-8-16)20(26)22(14-21(22,3)4)17-11-9-15(2)10-12-17/h9-12,16H,5-8,13-14H2,1-4H3
InChIKeyCDURKOGMEHKICO-UHFFFAOYSA-N
XLogP4.36
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide
CID 121498181
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131904872
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70752025
4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 119063058
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-sulfamoylbenzamide
CID 77090358
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
CID 119068258
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea
CID 72895206
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea
CID 118760709
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 91843306
(2R)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylmorpholine-2-carboxamide
CID 95729325
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-3-piperidin-3-ylbenzamide
CID 72858448

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide (CID 118762456) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide is CCN(Cc1noc(C2CCC2)n1)C(=O)C1(c2ccc(C)cc2)CC1(C)C.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is CDURKOGMEHKICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-25(13-18-23-19(27-24-18)16-7-6-8-16)20(26)22(14-21(22,3)4)17-11-9-15(2)10-12-17/h9-12,16H,5-8,13-14H2,1-4H3.
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 118762456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).