N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide

C19H32N4O3 — CID 167464126

IUPACN-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide
SMILESCN1CC(C(=O)NCCNC(=O)C2CCC3(CCNCC3)CC2)CC1=O
InChIInChI=1S/C19H32N4O3/c1-23-13-15(12-16(23)24)18(26)22-11-10-21-17(25)14-2-4-19(5-3-14)6-8-20-9-7-19/h14-15,20H,2-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyNDXYSPDFJXYPLB-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.26
Rot. Bonds5

About N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide

N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 167464126) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide
PubChem CID167464126
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide
SMILESCN1CC(C(=O)NCCNC(=O)C2CCC3(CCNCC3)CC2)CC1=O
InChIInChI=1S/C19H32N4O3/c1-23-13-15(12-16(23)24)18(26)22-11-10-21-17(25)14-2-4-19(5-3-14)6-8-20-9-7-19/h14-15,20H,2-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyNDXYSPDFJXYPLB-UHFFFAOYSA-N
XLogP0.26
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-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 N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide (CID 167464126) is N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide is CN1CC(C(=O)NCCNC(=O)C2CCC3(CCNCC3)CC2)CC1=O.
What is the InChIKey of N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is NDXYSPDFJXYPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-23-13-15(12-16(23)24)18(26)22-11-10-21-17(25)14-2-4-19(5-3-14)6-8-20-9-7-19/h14-15,20H,2-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide?
N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-3-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 167464126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).