2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide

C17H28N4O3 — CID 54541707

IUPAC2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide
SMILESCC(=O)NCCN(C=O)C(C)C(=O)N(C)CC#CCN1CCCC1
InChIInChI=1S/C17H28N4O3/c1-15(21(14-22)13-8-18-16(2)23)17(24)19(3)9-4-5-10-20-11-6-7-12-20/h14-15H,6-13H2,1-3H3,(H,18,23)
InChIKeyZDRCDKSBJKBOMS-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.47
Rot. Bonds8

About 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide

2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide (PubChem CID 54541707) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide.

Molecular Properties

Compound Name2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide
PubChem CID54541707
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide
SMILESCC(=O)NCCN(C=O)C(C)C(=O)N(C)CC#CCN1CCCC1
InChIInChI=1S/C17H28N4O3/c1-15(21(14-22)13-8-18-16(2)23)17(24)19(3)9-4-5-10-20-11-6-7-12-20/h14-15H,6-13H2,1-3H3,(H,18,23)
InChIKeyZDRCDKSBJKBOMS-UHFFFAOYSA-N
XLogP-0.47
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide 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

6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide
CID 578546
methyl 4-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-4-oxobutanoate
CID 550731
tert-butyl N-[8-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-8-oxooctyl]carbamate
CID 578009
2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide
CID 71792630
4-pyrrolidin-1-ylbut-2-ynamide
CID 154108122
5-pyrrolidin-1-ylpent-3-yn-2-ol
CID 3480981
1,1,3-trimethyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)urea
CID 71341658
ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate
CID 14896509
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide
CID 71792542

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide?
The IUPAC name of 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide (CID 54541707) is 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide.
What is the SMILES notation for 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide?
The canonical SMILES for 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide is CC(=O)NCCN(C=O)C(C)C(=O)N(C)CC#CCN1CCCC1.
What is the InChIKey of 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide?
The InChIKey is ZDRCDKSBJKBOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-15(21(14-22)13-8-18-16(2)23)17(24)19(3)9-4-5-10-20-11-6-7-12-20/h14-15H,6-13H2,1-3H3,(H,18,23).
What are the key properties of 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide?
2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide has a molecular weight of 336.44 g/mol, XLogP of -0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl(formyl)amino]-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)propanamide is sourced from PubChem (CID 54541707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).