1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide

C23H35N3O3 — CID 60535041

IUPAC1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35N3O3/c1-15(14-25-6-3-5-20(25)27)24-21(28)19-4-2-7-26(19)22(29)23-11-16-8-17(12-23)10-18(9-16)13-23/h15-19H,2-14H2,1H3,(H,24,28)
InChIKeyIGNNLZGASOPMMR-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.32
Rot. Bonds5

About 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 60535041) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
PubChem CID60535041
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35N3O3/c1-15(14-25-6-3-5-20(25)27)24-21(28)19-4-2-7-26(19)22(29)23-11-16-8-17(12-23)10-18(9-16)13-23/h15-19H,2-14H2,1H3,(H,24,28)
InChIKeyIGNNLZGASOPMMR-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide (CID 60535041) is 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide is CC(CN1CCCC1=O)NC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is IGNNLZGASOPMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-15(14-25-6-3-5-20(25)27)24-21(28)19-4-2-7-26(19)22(29)23-11-16-8-17(12-23)10-18(9-16)13-23/h15-19H,2-14H2,1H3,(H,24,28).
What are the key properties of 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60535041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).