1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide

C19H33N3O5 — CID 135214600

IUPAC1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide
SMILESC#CNCCCOCCOCCOCCCNC(=O)C1CCCN1C(C)=O
InChIInChI=1S/C19H33N3O5/c1-3-20-8-5-11-25-13-15-27-16-14-26-12-6-9-21-19(24)18-7-4-10-22(18)17(2)23/h1,18,20H,4-16H2,2H3,(H,21,24)
InChIKeyOEFLFQYJKFKGCC-UHFFFAOYSA-N
MW383.49 g/mol
LogP0.12
Rot. Bonds15

About 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide

1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide (PubChem CID 135214600) has the molecular formula C19H33N3O5 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide
PubChem CID135214600
Molecular FormulaC19H33N3O5
Molecular Weight383.49 g/mol
Exact Mass383.24
IUPAC Name1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide
SMILESC#CNCCCOCCOCCOCCCNC(=O)C1CCCN1C(C)=O
InChIInChI=1S/C19H33N3O5/c1-3-20-8-5-11-25-13-15-27-16-14-26-12-6-9-21-19(24)18-7-4-10-22(18)17(2)23/h1,18,20H,4-16H2,2H3,(H,21,24)
InChIKeyOEFLFQYJKFKGCC-UHFFFAOYSA-N
XLogP0.12
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]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

Related Compounds

1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
1-(cyclopropanecarbonyl)-N-[3-(2-hydroxyethoxy)propyl]pyrrolidine-2-carboxamide
CID 106305764
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium
CID 142081037
4-[3-[2-[2-[3-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]-5-methoxy-5-oxopentanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
CID 139473492
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10293594
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 163643584
1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 115700393
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
CID 143354246

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide (CID 135214600) is 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide is C#CNCCCOCCOCCOCCCNC(=O)C1CCCN1C(C)=O.
What is the InChIKey of 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide?
The InChIKey is OEFLFQYJKFKGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O5/c1-3-20-8-5-11-25-13-15-27-16-14-26-12-6-9-21-19(24)18-7-4-10-22(18)17(2)23/h1,18,20H,4-16H2,2H3,(H,21,24).
What are the key properties of 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 0.12, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 135214600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).