(2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide

C17H31N3O2 — CID 66971219

IUPAC(2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide
SMILESCC1CCC(N(C(=O)C(C)(C)C)[C@@H]2CN[C@H](C(N)=O)C2)CC1
InChIInChI=1S/C17H31N3O2/c1-11-5-7-12(8-6-11)20(16(22)17(2,3)4)13-9-14(15(18)21)19-10-13/h11-14,19H,5-10H2,1-4H3,(H2,18,21)/t11?,12?,13-,14-/m0/s1
InChIKeyCFKGQSKGTHURFQ-HOAMVYINSA-N
MW309.45 g/mol
LogP1.66
Rot. Bonds3

About (2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide

(2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide (PubChem CID 66971219) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is (2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide
PubChem CID66971219
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name(2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide
SMILESCC1CCC(N(C(=O)C(C)(C)C)[C@@H]2CN[C@H](C(N)=O)C2)CC1
InChIInChI=1S/C17H31N3O2/c1-11-5-7-12(8-6-11)20(16(22)17(2,3)4)13-9-14(15(18)21)19-10-13/h11-14,19H,5-10H2,1-4H3,(H2,18,21)/t11?,12?,13-,14-/m0/s1
InChIKeyCFKGQSKGTHURFQ-HOAMVYINSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide (CID 66971219) is (2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide is CC1CCC(N(C(=O)C(C)(C)C)[C@@H]2CN[C@H](C(N)=O)C2)CC1.
What is the InChIKey of (2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is CFKGQSKGTHURFQ-HOAMVYINSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-11-5-7-12(8-6-11)20(16(22)17(2,3)4)13-9-14(15(18)21)19-10-13/h11-14,19H,5-10H2,1-4H3,(H2,18,21)/t11?,12?,13-,14-/m0/s1.
What are the key properties of (2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide?
(2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[2,2-dimethylpropanoyl-(4-methylcyclohexyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 66971219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).