2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride

C20H36ClN3O3 — CID 174159659

IUPAC2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride
SMILESCC1CCC(N(C(=O)C(C)C)[C@@H]2CN[C@H](C(=O)N3CCOCC3)C2)CC1.Cl
InChIInChI=1S/C20H35N3O3.ClH/c1-14(2)19(24)23(16-6-4-15(3)5-7-16)17-12-18(21-13-17)20(25)22-8-10-26-11-9-22;/h14-18,21H,4-13H2,1-3H3;1H/t15?,16?,17-,18-;/m0./s1
InChIKeyCPBDMCJZMRGKII-TZTRAKNYSA-N
MW401.98 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride

2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride (PubChem CID 174159659) has the molecular formula C20H36ClN3O3 and a molecular weight of 401.98 g/mol. Its IUPAC name is 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride
PubChem CID174159659
Molecular FormulaC20H36ClN3O3
Molecular Weight401.98 g/mol
Exact Mass401.24
IUPAC Name2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride
SMILESCC1CCC(N(C(=O)C(C)C)[C@@H]2CN[C@H](C(=O)N3CCOCC3)C2)CC1.Cl
InChIInChI=1S/C20H35N3O3.ClH/c1-14(2)19(24)23(16-6-4-15(3)5-7-16)17-12-18(21-13-17)20(25)22-8-10-26-11-9-22;/h14-18,21H,4-13H2,1-3H3;1H/t15?,16?,17-,18-;/m0./s1
InChIKeyCPBDMCJZMRGKII-TZTRAKNYSA-N
XLogP2.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.98
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
(2S)-1-butanoyl-N-[(2S)-3-cyclohexyl-1-[[2-methyl-1-[[2-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[[2-methyl-1-[[(2S)-4-methyl-1-[[3-[[(2S)-1-morpholin-4-ylpropan-2-yl]amino]-3-oxopropyl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 156018430
Proline scaffold, 11
CID 42618109
Proline scaffold, 31
CID 42618128
N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxoprolinamide
CID 3241536
N~2~-[(4-methylcyclohexyl)carbonyl]-N-[2-(morpholin-4-yl)ethyl]leucinamide
CID 16478659
1-cyclohexyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 3319860
(2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75411487
(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide
CID 75411411
N-(2,3-dimethylcyclohexyl)-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 16003480
2-Methyl-N-(3-methylbutyl)-1-[3-(morpholin-4-YL)propyl]-5-oxopyrrolidine-2-carboxamide
CID 46247124
(2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 75411406

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride (CID 174159659) is 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride is CC1CCC(N(C(=O)C(C)C)[C@@H]2CN[C@H](C(=O)N3CCOCC3)C2)CC1.Cl.
What is the InChIKey of 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride?
The InChIKey is CPBDMCJZMRGKII-TZTRAKNYSA-N. The full InChI is InChI=1S/C20H35N3O3.ClH/c1-14(2)19(24)23(16-6-4-15(3)5-7-16)17-12-18(21-13-17)20(25)22-8-10-26-11-9-22;/h14-18,21H,4-13H2,1-3H3;1H/t15?,16?,17-,18-;/m0./s1.
What are the key properties of 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride?
2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride has a molecular weight of 401.98 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 174159659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).