2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

C21H25ClN2O3 — CID 17465759

IUPAC2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H25ClN2O3/c1-16-13-18(22)7-8-20(16)27-15-21(25)23(2)14-17-5-3-4-6-19(17)24-9-11-26-12-10-24/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyMDHHGQGWEZBDSD-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.52
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 17465759) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID17465759
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H25ClN2O3/c1-16-13-18(22)7-8-20(16)27-15-21(25)23(2)14-17-5-3-4-6-19(17)24-9-11-26-12-10-24/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyMDHHGQGWEZBDSD-UHFFFAOYSA-N
XLogP3.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3467178
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
3-ethoxy-4-methoxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645741
2-(4-chloro-2-methylphenoxy)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4805862
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78768448
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874480
1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 30777999
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
2,2-dimethyl-N-[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]propanamide
CID 31645850
(2R)-N-(3-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26381467
2-(4-chloro-2-methylphenoxy)-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]acetamide
CID 1016468
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7604546

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (CID 17465759) is 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is MDHHGQGWEZBDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-16-13-18(22)7-8-20(16)27-15-21(25)23(2)14-17-5-3-4-6-19(17)24-9-11-26-12-10-24/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 388.90 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 17465759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).