(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide

C20H36N4O3 — CID 75529644

IUPAC(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NCCN1CCOCC1
InChIInChI=1S/C20H36N4O3/c1-21-20(26)18(16-6-3-2-4-7-16)24-10-5-8-17(24)19(25)22-9-11-23-12-14-27-15-13-23/h16-18H,2-15H2,1H3,(H,21,26)(H,22,25)/t17-,18+/m0/s1
InChIKeyJSCSJBSCJXELTF-ZWKOTPCHSA-N
MW380.53 g/mol
LogP0.59
Rot. Bonds7

About (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide

(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 75529644) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
PubChem CID75529644
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NCCN1CCOCC1
InChIInChI=1S/C20H36N4O3/c1-21-20(26)18(16-6-3-2-4-7-16)24-10-5-8-17(24)19(25)22-9-11-23-12-14-27-15-13-23/h16-18H,2-15H2,1H3,(H,21,26)(H,22,25)/t17-,18+/m0/s1
InChIKeyJSCSJBSCJXELTF-ZWKOTPCHSA-N
XLogP0.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholinoethyl)-4-pentylcyclohexanecarboxamide
CID 3731631
4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
(2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 44353259
(R)-N-((R)-3-cyano-1-isopropylpyrrolidin-3-yl)-2-(cyclohexylmethyl)-4-morpholino-4-oxobutanamide
CID 44430252
(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
4-ethyl-N-(3-methyl-1-{[2-(morpholin-4-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3390135
N~2~-[(4-methylcyclohexyl)carbonyl]-N-[2-(morpholin-4-yl)ethyl]leucinamide
CID 16478659
Ac-Abu(cHex)-Val-Pro-NH2
CID 16732148
N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 25163204

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide (CID 75529644) is (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NCCN1CCOCC1.
What is the InChIKey of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is JSCSJBSCJXELTF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-21-20(26)18(16-6-3-2-4-7-16)24-10-5-8-17(24)19(25)22-9-11-23-12-14-27-15-13-23/h16-18H,2-15H2,1H3,(H,21,26)(H,22,25)/t17-,18+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75529644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).