3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide

C13H26N2O2 — CID 55165905

IUPAC3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide
SMILESCC(C)COCCCNC(=O)C1(C)CCNC1
InChIInChI=1S/C13H26N2O2/c1-11(2)9-17-8-4-6-15-12(16)13(3)5-7-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyNPYSFZYDGWVYJS-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.16
Rot. Bonds7

About 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide

3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide (PubChem CID 55165905) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide
PubChem CID55165905
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide
SMILESCC(C)COCCCNC(=O)C1(C)CCNC1
InChIInChI=1S/C13H26N2O2/c1-11(2)9-17-8-4-6-15-12(16)13(3)5-7-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyNPYSFZYDGWVYJS-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 115737915
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 115740541
N-(2-cyclopentyloxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63826527
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
ethyl 4-[(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 64576192
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 83110875
N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
N-(1-ethoxypropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63142112

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide (CID 55165905) is 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide is CC(C)COCCCNC(=O)C1(C)CCNC1.
What is the InChIKey of 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide?
The InChIKey is NPYSFZYDGWVYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)9-17-8-4-6-15-12(16)13(3)5-7-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide?
3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55165905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).