cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide

C17H30N2O2 — CID 145466562

IUPACcis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide
SMILESCNC(=O)C(NC(=O)[C@@H]1C[C@H]1C1CCCCC1)C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-17(2,3)14(16(21)18-4)19-15(20)13-10-12(13)11-8-6-5-7-9-11/h11-14H,5-10H2,1-4H3,(H,18,21)(H,19,20)/t12-,13+,14?/m0/s1
InChIKeyMYPPUPSKLOMUMQ-WLDKUNSKSA-N
MW294.44 g/mol
LogP2.48
Rot. Bonds4

About cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide (PubChem CID 145466562) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide
PubChem CID145466562
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Namecis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide
SMILESCNC(=O)C(NC(=O)[C@@H]1C[C@H]1C1CCCCC1)C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-17(2,3)14(16(21)18-4)19-15(20)13-10-12(13)11-8-6-5-7-9-11/h11-14H,5-10H2,1-4H3,(H,18,21)(H,19,20)/t12-,13+,14?/m0/s1
InChIKeyMYPPUPSKLOMUMQ-WLDKUNSKSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide
CID 11651747
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide
CID 11544064
(2R,3S)-3-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 44276990
(2R,3S)-3-cyclohexyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 44277506
7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide
CID 86274239
3,3-dimethyl-N-[(3S)-2-oxoazepan-3-yl]dodecanamide
CID 11151929
(2S)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropylamino)pentanoyl]amino]pentanoyl]amino]-4-methylpentanamide
CID 11744611
(S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)cyclopropanecarboxamide
CID 49788655
(S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)butyramide
CID 52941697
Abt-769
CID 10398206
4-tert-butyl-N-(3-methyl-1-oxo-1-{[3-(piperidin-1-yl)propyl]amino}butan-2-yl)cyclohexanecarboxamide
CID 16188551

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide (CID 145466562) is cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide is CNC(=O)C(NC(=O)[C@@H]1C[C@H]1C1CCCCC1)C(C)(C)C.
What is the InChIKey of cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is MYPPUPSKLOMUMQ-WLDKUNSKSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-17(2,3)14(16(21)18-4)19-15(20)13-10-12(13)11-8-6-5-7-9-11/h11-14H,5-10H2,1-4H3,(H,18,21)(H,19,20)/t12-,13+,14?/m0/s1.
What are the key properties of cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 145466562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).