3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide

C26H38N2O2 — CID 3270259

IUPAC3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide
SMILESCCCCCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)CCC1CCCC1
InChIInChI=1S/C26H38N2O2/c1-3-4-7-17-28(26(29)16-15-22-10-5-6-11-22)21-24-13-9-18-27(24)20-23-12-8-14-25(19-23)30-2/h8-9,12-14,18-19,22H,3-7,10-11,15-17,20-21H2,1-2H3
InChIKeyXHJBVVSEJBIBKU-UHFFFAOYSA-N
MW410.60 g/mol
LogP6.03
Rot. Bonds12

About 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide

3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide (PubChem CID 3270259) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide
PubChem CID3270259
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide
SMILESCCCCCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)CCC1CCCC1
InChIInChI=1S/C26H38N2O2/c1-3-4-7-17-28(26(29)16-15-22-10-5-6-11-22)21-24-13-9-18-27(24)20-23-12-8-14-25(19-23)30-2/h8-9,12-14,18-19,22H,3-7,10-11,15-17,20-21H2,1-2H3
InChIKeyXHJBVVSEJBIBKU-UHFFFAOYSA-N
XLogP6.03
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide 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-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]dodecanamide
CID 4221112
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-pentylcyclobutanecarboxamide
CID 42664397
N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 5219910
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-butylhexanamide
CID 3688758
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-butyldodecanamide
CID 42771285
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 5030621
3-cyclopentyl-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 5015038
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-butyl-N-pentylbenzamide
CID 42771293
N-pentyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]hexanamide
CID 4568943
N-[2-[butan-2-yl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 3560404
N-(3-methoxypropyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]decanamide
CID 42763478
N-butyl-3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42763013

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide?
The IUPAC name of 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide (CID 3270259) is 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide is CCCCCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide?
The InChIKey is XHJBVVSEJBIBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-3-4-7-17-28(26(29)16-15-22-10-5-6-11-22)21-24-13-9-18-27(24)20-23-12-8-14-25(19-23)30-2/h8-9,12-14,18-19,22H,3-7,10-11,15-17,20-21H2,1-2H3.
What are the key properties of 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide?
3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide has a molecular weight of 410.60 g/mol, XLogP of 6.03, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide is sourced from PubChem (CID 3270259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).