5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide

C22H35N3O3 — CID 5037076

IUPAC5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCC(CC)C(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCOC)c1
InChIInChI=1S/C22H35N3O3/c1-4-6-9-17(5-2)21(26)24-18-10-11-20(25-13-7-8-14-25)19(16-18)22(27)23-12-15-28-3/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyZUDPHBBESIYJSK-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.82
Rot. Bonds11

About 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide

5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 5037076) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID5037076
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCC(CC)C(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCOC)c1
InChIInChI=1S/C22H35N3O3/c1-4-6-9-17(5-2)21(26)24-18-10-11-20(25-13-7-8-14-25)19(16-18)22(27)23-12-15-28-3/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyZUDPHBBESIYJSK-UHFFFAOYSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide 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

5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 7230501
N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5204390
5-(2-ethylhexanoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3259477
N-[(2R)-butan-2-yl]-5-[[(2R)-2-ethylhexanoyl]amino]-2-piperidin-1-ylbenzamide
CID 7230917
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
5-[[(2R)-2-ethylhexanoyl]amino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 7213668
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 4015486
N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42757207
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 4242222

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide (CID 5037076) is 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide is CCCCC(CC)C(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCOC)c1.
What is the InChIKey of 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is ZUDPHBBESIYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-4-6-9-17(5-2)21(26)24-18-10-11-20(25-13-7-8-14-25)19(16-18)22(27)23-12-15-28-3/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide?
5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 389.54 g/mol, XLogP of 3.82, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 5037076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).