(2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide

C19H34N4O3 — CID 75411487

IUPAC(2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NCCN2CCOCC2)CCCCC1
InChIInChI=1S/C19H34N4O3/c1-20-18(25)19(7-3-2-4-8-19)23-10-5-6-16(23)17(24)21-9-11-22-12-14-26-15-13-22/h16H,2-15H2,1H3,(H,20,25)(H,21,24)/t16-/m0/s1
InChIKeyJOVQAMGAUUFSMD-INIZCTEOSA-N
MW366.51 g/mol
LogP0.35
Rot. Bonds6

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

(2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 75411487) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
PubChem CID75411487
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name(2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NCCN2CCOCC2)CCCCC1
InChIInChI=1S/C19H34N4O3/c1-20-18(25)19(7-3-2-4-8-19)23-10-5-6-16(23)17(24)21-9-11-22-12-14-26-15-13-22/h16H,2-15H2,1H3,(H,20,25)(H,21,24)/t16-/m0/s1
InChIKeyJOVQAMGAUUFSMD-INIZCTEOSA-N
XLogP0.35
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide (CID 75411487) is (2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide is CNC(=O)C1(N2CCC[C@H]2C(=O)NCCN2CCOCC2)CCCCC1.
What is the InChIKey of (2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is JOVQAMGAUUFSMD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-20-18(25)19(7-3-2-4-8-19)23-10-5-6-16(23)17(24)21-9-11-22-12-14-26-15-13-22/h16H,2-15H2,1H3,(H,20,25)(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
(2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).