2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide

C19H24N2O3 — CID 30825293

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)CN(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C19H24N2O3/c1-15-4-2-5-17(12-15)24-11-9-20-19(22)14-21(16-7-8-16)13-18-6-3-10-23-18/h2-6,10,12,16H,7-9,11,13-14H2,1H3,(H,20,22)
InChIKeyCEIVTCUMTNLZKU-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.75
Rot. Bonds9

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide

2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 30825293) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID30825293
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)CN(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C19H24N2O3/c1-15-4-2-5-17(12-15)24-11-9-20-19(22)14-21(16-7-8-16)13-18-6-3-10-23-18/h2-6,10,12,16H,7-9,11,13-14H2,1H3,(H,20,22)
InChIKeyCEIVTCUMTNLZKU-UHFFFAOYSA-N
XLogP2.75
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 30825293) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCNC(=O)CN(Cc2ccco2)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is CEIVTCUMTNLZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15-4-2-5-17(12-15)24-11-9-20-19(22)14-21(16-7-8-16)13-18-6-3-10-23-18/h2-6,10,12,16H,7-9,11,13-14H2,1H3,(H,20,22).
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 30825293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).