2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide

C25H44N2O2 — CID 140698778

IUPAC2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide
SMILESCNC[C@H](C1CCC2CCCCC2C1)[C@H](OCC(=O)NC1CC1)C1CCCCC1
InChIInChI=1S/C25H44N2O2/c1-26-16-23(21-12-11-18-7-5-6-10-20(18)15-21)25(19-8-3-2-4-9-19)29-17-24(28)27-22-13-14-22/h18-23,25-26H,2-17H2,1H3,(H,27,28)/t18?,20?,21?,23-,25-/m1/s1
InChIKeyKKIQBOFMUUAUMS-ZADKDVOVSA-N
MW404.64 g/mol
LogP4.67
Rot. Bonds9

About 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide

2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide (PubChem CID 140698778) has the molecular formula C25H44N2O2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide
PubChem CID140698778
Molecular FormulaC25H44N2O2
Molecular Weight404.64 g/mol
Exact Mass404.34
IUPAC Name2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide
SMILESCNC[C@H](C1CCC2CCCCC2C1)[C@H](OCC(=O)NC1CC1)C1CCCCC1
InChIInChI=1S/C25H44N2O2/c1-26-16-23(21-12-11-18-7-5-6-10-20(18)15-21)25(19-8-3-2-4-9-19)29-17-24(28)27-22-13-14-22/h18-23,25-26H,2-17H2,1H3,(H,27,28)/t18?,20?,21?,23-,25-/m1/s1
InChIKeyKKIQBOFMUUAUMS-ZADKDVOVSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide with MolForge

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Related Compounds

(1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol
CID 140698802
2-amino-N-(4-cyclohexylcyclohexyl)acetamide
CID 21479296
N-[(1S)-1-cyclohexylethyl]-2-propan-2-yloxyacetamide
CID 103940569
methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate
CID 112690018
N-(4-cyclooctylcycloheptyl)acetamide
CID 170008813
2-propan-2-yloxy-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 103767092
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 112686677
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
[2-(cyclopropylamino)-2-oxoethyl] hypofluorite
CID 89179896
N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 79195915

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide (CID 140698778) is 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide is CNC[C@H](C1CCC2CCCCC2C1)[C@H](OCC(=O)NC1CC1)C1CCCCC1.
What is the InChIKey of 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide?
The InChIKey is KKIQBOFMUUAUMS-ZADKDVOVSA-N. The full InChI is InChI=1S/C25H44N2O2/c1-26-16-23(21-12-11-18-7-5-6-10-20(18)15-21)25(19-8-3-2-4-9-19)29-17-24(28)27-22-13-14-22/h18-23,25-26H,2-17H2,1H3,(H,27,28)/t18?,20?,21?,23-,25-/m1/s1.
What are the key properties of 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide?
2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide has a molecular weight of 404.64 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 140698778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).