2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane

C22H41NO3 — CID 145466692

IUPAC2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane
SMILESCC.CCC(=O)C(NC(=O)C(C1CCCCC1)C1(OC)CC1)C(C)(C)C
InChIInChI=1S/C20H35NO3.C2H6/c1-6-15(22)17(19(2,3)4)21-18(23)16(20(24-5)12-13-20)14-10-8-7-9-11-14;1-2/h14,16-17H,6-13H2,1-5H3,(H,21,23);1-2H3
InChIKeyZQTWDNHWQOOQMT-UHFFFAOYSA-N
MW367.57 g/mol
LogP4.90
Rot. Bonds7

About 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane

2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane (PubChem CID 145466692) has the molecular formula C22H41NO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane.

Molecular Properties

Compound Name2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane
PubChem CID145466692
Molecular FormulaC22H41NO3
Molecular Weight367.57 g/mol
Exact Mass367.31
IUPAC Name2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane
SMILESCC.CCC(=O)C(NC(=O)C(C1CCCCC1)C1(OC)CC1)C(C)(C)C
InChIInChI=1S/C20H35NO3.C2H6/c1-6-15(22)17(19(2,3)4)21-18(23)16(20(24-5)12-13-20)14-10-8-7-9-11-14;1-2/h14,16-17H,6-13H2,1-5H3,(H,21,23);1-2H3
InChIKeyZQTWDNHWQOOQMT-UHFFFAOYSA-N
XLogP4.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane
CID 145466352
N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane
CID 145466520
(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one
CID 101013747
ethane;methylcyclohexane;2-methylpentan-3-one
CID 177135941
1-tert-butyl-3-(2,2-dimethyl-4-oxohexan-3-yl)urea
CID 88922406
N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine
CID 116770430
4-cyclohexylhexan-3-one
CID 121006778
N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide
CID 103029230
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide
CID 176581923
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
CID 171608649
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119809042

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane?
The IUPAC name of 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane (CID 145466692) is 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane.
What is the SMILES notation for 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane?
The canonical SMILES for 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane is CC.CCC(=O)C(NC(=O)C(C1CCCCC1)C1(OC)CC1)C(C)(C)C.
What is the InChIKey of 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane?
The InChIKey is ZQTWDNHWQOOQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3.C2H6/c1-6-15(22)17(19(2,3)4)21-18(23)16(20(24-5)12-13-20)14-10-8-7-9-11-14;1-2/h14,16-17H,6-13H2,1-5H3,(H,21,23);1-2H3.
What are the key properties of 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane?
2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane has a molecular weight of 367.57 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane is sourced from PubChem (CID 145466692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).