(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride

C18H32ClN3O3 — CID 127021217

IUPAC(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NC2CCCCC2)CCOCC1.Cl
InChIInChI=1S/C18H31N3O3.ClH/c1-19-17(23)18(9-12-24-13-10-18)21-11-5-8-15(21)16(22)20-14-6-3-2-4-7-14;/h14-15H,2-13H2,1H3,(H,19,23)(H,20,22);1H/t15-;/m0./s1
InChIKeyZROIDAJAMIZTNE-RSAXXLAASA-N
MW373.93 g/mol
LogP1.62
Rot. Bonds4

About (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 127021217) has the molecular formula C18H32ClN3O3 and a molecular weight of 373.93 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID127021217
Molecular FormulaC18H32ClN3O3
Molecular Weight373.93 g/mol
Exact Mass373.21
IUPAC Name(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NC2CCCCC2)CCOCC1.Cl
InChIInChI=1S/C18H31N3O3.ClH/c1-19-17(23)18(9-12-24-13-10-18)21-11-5-8-15(21)16(22)20-14-6-3-2-4-7-14;/h14-15H,2-13H2,1H3,(H,19,23)(H,20,22);1H/t15-;/m0./s1
InChIKeyZROIDAJAMIZTNE-RSAXXLAASA-N
XLogP1.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 127021217) is (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride is CNC(=O)C1(N2CCC[C@H]2C(=O)NC2CCCCC2)CCOCC1.Cl.
What is the InChIKey of (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZROIDAJAMIZTNE-RSAXXLAASA-N. The full InChI is InChI=1S/C18H31N3O3.ClH/c1-19-17(23)18(9-12-24-13-10-18)21-11-5-8-15(21)16(22)20-14-6-3-2-4-7-14;/h14-15H,2-13H2,1H3,(H,19,23)(H,20,22);1H/t15-;/m0./s1.
What are the key properties of (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 373.93 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 127021217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).