2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide

C19H28N2O2 — CID 47057264

IUPAC2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESC=CCN(CC(=O)NCCOc1cccc(C)c1)C1CCCC1
InChIInChI=1S/C19H28N2O2/c1-3-12-21(17-8-4-5-9-17)15-19(22)20-11-13-23-18-10-6-7-16(2)14-18/h3,6-7,10,14,17H,1,4-5,8-9,11-13,15H2,2H3,(H,20,22)
InChIKeyCLVXFVHMGWMROA-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.92
Rot. Bonds9

About 2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide

2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 47057264) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID47057264
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESC=CCN(CC(=O)NCCOc1cccc(C)c1)C1CCCC1
InChIInChI=1S/C19H28N2O2/c1-3-12-21(17-8-4-5-9-17)15-19(22)20-11-13-23-18-10-6-7-16(2)14-18/h3,6-7,10,14,17H,1,4-5,8-9,11-13,15H2,2H3,(H,20,22)
InChIKeyCLVXFVHMGWMROA-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 30825293
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 62211308
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 111336190
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
2-amino-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 64824425
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 47014235
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 47057264) is 2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide is C=CCN(CC(=O)NCCOc1cccc(C)c1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is CLVXFVHMGWMROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-12-21(17-8-4-5-9-17)15-19(22)20-11-13-23-18-10-6-7-16(2)14-18/h3,6-7,10,14,17H,1,4-5,8-9,11-13,15H2,2H3,(H,20,22).
What are the key properties of 2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 316.44 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 47057264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).