(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide

C19H25N3O — CID 9432014

IUPAC(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)C1(C#N)CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C19H25N3O/c1-15(22-13-10-16-8-4-5-9-17(16)22)18(23)21(2)19(14-20)11-6-3-7-12-19/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3/t15-/m1/s1
InChIKeyUGXJZNRVPYBQFV-OAHLLOKOSA-N
MW311.43 g/mol
LogP3.12
Rot. Bonds3

About (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide

(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide (PubChem CID 9432014) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide
PubChem CID9432014
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)C1(C#N)CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C19H25N3O/c1-15(22-13-10-16-8-4-5-9-17(16)22)18(23)21(2)19(14-20)11-6-3-7-12-19/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3/t15-/m1/s1
InChIKeyUGXJZNRVPYBQFV-OAHLLOKOSA-N
XLogP3.12
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-cyanocyclohexyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide
CID 9432525
(2S)-N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpropanamide
CID 9431281
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 112810869
(2R)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 9432308
(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide
CID 7131211
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9446014
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8704392
[(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998845
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide?
The IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide (CID 9432014) is (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide.
What is the SMILES notation for (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide?
The canonical SMILES for (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide is C[C@H](C(=O)N(C)C1(C#N)CCCCC1)N1CCc2ccccc21.
What is the InChIKey of (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide?
The InChIKey is UGXJZNRVPYBQFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(22-13-10-16-8-4-5-9-17(16)22)18(23)21(2)19(14-20)11-6-3-7-12-19/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide?
(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 9432014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).