(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide

C15H27N3O2 — CID 75411486

IUPAC(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCCCC1
InChIInChI=1S/C15H27N3O2/c1-3-17-13(19)12-8-7-11-18(12)15(14(20)16-2)9-5-4-6-10-15/h12H,3-11H2,1-2H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyOBWAFBHYMXFPIO-LBPRGKRZSA-N
MW281.40 g/mol
LogP1.04
Rot. Bonds4

About (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide

(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 75411486) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID75411486
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCCCC1
InChIInChI=1S/C15H27N3O2/c1-3-17-13(19)12-8-7-11-18(12)15(14(20)16-2)9-5-4-6-10-15/h12H,3-11H2,1-2H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyOBWAFBHYMXFPIO-LBPRGKRZSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide (CID 75411486) is (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCCCC1.
What is the InChIKey of (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is OBWAFBHYMXFPIO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-17-13(19)12-8-7-11-18(12)15(14(20)16-2)9-5-4-6-10-15/h12H,3-11H2,1-2H3,(H,16,20)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).