2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide

C20H25ClN2O4 — CID 18164100

IUPAC2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC(c2ccc(C)o2)N2CCOCC2)c1
InChIInChI=1S/C20H25ClN2O4/c1-14-3-5-16(21)19(11-14)26-13-20(24)22-12-17(18-6-4-15(2)27-18)23-7-9-25-10-8-23/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,22,24)
InChIKeyAQOUBEQOLQZCFB-UHFFFAOYSA-N
MW392.88 g/mol
LogP3.12
Rot. Bonds7

About 2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide

2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 18164100) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
PubChem CID18164100
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC(c2ccc(C)o2)N2CCOCC2)c1
InChIInChI=1S/C20H25ClN2O4/c1-14-3-5-16(21)19(11-14)26-13-20(24)22-12-17(18-6-4-15(2)27-18)23-7-9-25-10-8-23/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,22,24)
InChIKeyAQOUBEQOLQZCFB-UHFFFAOYSA-N
XLogP3.12
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164234
2-(2,4-dimethylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164117
2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
2-(3-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 51927031
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide
CID 26006499
2-(4-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164114
3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 24643835
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834699
2-(3-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164161
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32707918
2-(4-chloro-3-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052575
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 51628719

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide (CID 18164100) is 2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide is Cc1ccc(Cl)c(OCC(=O)NCC(c2ccc(C)o2)N2CCOCC2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is AQOUBEQOLQZCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-14-3-5-16(21)19(11-14)26-13-20(24)22-12-17(18-6-4-15(2)27-18)23-7-9-25-10-8-23/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 392.88 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 18164100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).