2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide

C24H36N4O — CID 69415760

IUPAC2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide
SMILESCC(C)(CN1CCC(C#N)(NC(=O)C(N)CC2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C24H36N4O/c1-23(2,20-11-7-4-8-12-20)17-28-14-13-24(16-25,18-28)27-22(29)21(26)15-19-9-5-3-6-10-19/h4,7-8,11-12,19,21H,3,5-6,9-10,13-15,17-18,26H2,1-2H3,(H,27,29)
InChIKeyLDKVUDVLRZVPEY-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.35
Rot. Bonds7

About 2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide

2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide (PubChem CID 69415760) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide
PubChem CID69415760
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC Name2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide
SMILESCC(C)(CN1CCC(C#N)(NC(=O)C(N)CC2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C24H36N4O/c1-23(2,20-11-7-4-8-12-20)17-28-14-13-24(16-25,18-28)27-22(29)21(26)15-19-9-5-3-6-10-19/h4,7-8,11-12,19,21H,3,5-6,9-10,13-15,17-18,26H2,1-2H3,(H,27,29)
InChIKeyLDKVUDVLRZVPEY-UHFFFAOYSA-N
XLogP3.35
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide?
The IUPAC name of 2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide (CID 69415760) is 2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for 2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide?
The canonical SMILES for 2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide is CC(C)(CN1CCC(C#N)(NC(=O)C(N)CC2CCCCC2)C1)c1ccccc1.
What is the InChIKey of 2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide?
The InChIKey is LDKVUDVLRZVPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-23(2,20-11-7-4-8-12-20)17-28-14-13-24(16-25,18-28)27-22(29)21(26)15-19-9-5-3-6-10-19/h4,7-8,11-12,19,21H,3,5-6,9-10,13-15,17-18,26H2,1-2H3,(H,27,29).
What are the key properties of 2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide?
2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide has a molecular weight of 396.58 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 69415760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).