(2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide

C19H33N3O2 — CID 56713954

IUPAC(2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=C(C)CN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C2CCCCC2)CN1C
InChIInChI=1S/C19H33N3O2/c1-5-22(12-14(2)3)19(24)17-11-16(13-21(17)4)20-18(23)15-9-7-6-8-10-15/h15-17H,2,5-13H2,1,3-4H3,(H,20,23)/t16-,17-/m0/s1
InChIKeyIVKPRFNOQCNCMA-IRXDYDNUSA-N
MW335.49 g/mol
LogP2.18
Rot. Bonds6

About (2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide

(2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide (PubChem CID 56713954) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
PubChem CID56713954
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=C(C)CN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C2CCCCC2)CN1C
InChIInChI=1S/C19H33N3O2/c1-5-22(12-14(2)3)19(24)17-11-16(13-21(17)4)20-18(23)15-9-7-6-8-10-15/h15-17H,2,5-13H2,1,3-4H3,(H,20,23)/t16-,17-/m0/s1
InChIKeyIVKPRFNOQCNCMA-IRXDYDNUSA-N
XLogP2.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide (CID 56713954) is (2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide is C=C(C)CN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C2CCCCC2)CN1C.
What is the InChIKey of (2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The InChIKey is IVKPRFNOQCNCMA-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-22(12-14(2)3)19(24)17-11-16(13-21(17)4)20-18(23)15-9-7-6-8-10-15/h15-17H,2,5-13H2,1,3-4H3,(H,20,23)/t16-,17-/m0/s1.
What are the key properties of (2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(cyclohexanecarbonylamino)-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56713954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).