2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide

C20H32N2O2 — CID 87017404

IUPAC2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
SMILESCCCOCc1ccccc1CNC(=O)CN(CC)C1CCCC1
InChIInChI=1S/C20H32N2O2/c1-3-13-24-16-18-10-6-5-9-17(18)14-21-20(23)15-22(4-2)19-11-7-8-12-19/h5-6,9-10,19H,3-4,7-8,11-16H2,1-2H3,(H,21,23)
InChIKeyYQRXCADPQWODER-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.49
Rot. Bonds10

About 2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide

2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide (PubChem CID 87017404) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
PubChem CID87017404
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
SMILESCCCOCc1ccccc1CNC(=O)CN(CC)C1CCCC1
InChIInChI=1S/C20H32N2O2/c1-3-13-24-16-18-10-6-5-9-17(18)14-21-20(23)15-22(4-2)19-11-7-8-12-19/h5-6,9-10,19H,3-4,7-8,11-16H2,1-2H3,(H,21,23)
InChIKeyYQRXCADPQWODER-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110015310
2-(cyclopropylmethylamino)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734225
2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34620482
2-[cyclopentyl(methyl)amino]-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 112840926
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734227
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87016615
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
N-[[2-(propoxymethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119295267
3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide
CID 120609341
1-[(1-hydroxycyclobutyl)methyl]-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 111438310
2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 47057266
1-cyclopropyl-3-[[2-(propoxymethyl)phenyl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 87007968

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide (CID 87017404) is 2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide is CCCOCc1ccccc1CNC(=O)CN(CC)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The InChIKey is YQRXCADPQWODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-13-24-16-18-10-6-5-9-17(18)14-21-20(23)15-22(4-2)19-11-7-8-12-19/h5-6,9-10,19H,3-4,7-8,11-16H2,1-2H3,(H,21,23).
What are the key properties of 2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide has a molecular weight of 332.49 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 87017404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).