(3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide

C15H26N2O2 — CID 136581841

IUPAC(3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide
SMILESCC1CCCC(CC(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1
InChIInChI=1S/C15H26N2O2/c1-10-4-3-5-12(6-10)7-14(18)17-8-11(2)13(9-17)15(16)19/h10-13H,3-9H2,1-2H3,(H2,16,19)/t10?,11-,12?,13-/m1/s1
InChIKeyHXFITNAITBGHIX-POOIEITISA-N
MW266.38 g/mol
LogP1.78
Rot. Bonds3

About (3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide (PubChem CID 136581841) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide
PubChem CID136581841
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide
SMILESCC1CCCC(CC(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1
InChIInChI=1S/C15H26N2O2/c1-10-4-3-5-12(6-10)7-14(18)17-8-11(2)13(9-17)15(16)19/h10-13H,3-9H2,1-2H3,(H2,16,19)/t10?,11-,12?,13-/m1/s1
InChIKeyHXFITNAITBGHIX-POOIEITISA-N
XLogP1.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide (CID 136581841) is (3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide is CC1CCCC(CC(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1.
What is the InChIKey of (3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide?
The InChIKey is HXFITNAITBGHIX-POOIEITISA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10-4-3-5-12(6-10)7-14(18)17-8-11(2)13(9-17)15(16)19/h10-13H,3-9H2,1-2H3,(H2,16,19)/t10?,11-,12?,13-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 136581841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).