2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide

C23H30N2O3 — CID 110304123

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1cccc(C(CNC(=O)COc2ccc(C)c(C)c2)N2CCOCC2)c1
InChIInChI=1S/C23H30N2O3/c1-17-5-4-6-20(13-17)22(25-9-11-27-12-10-25)15-24-23(26)16-28-21-8-7-18(2)19(3)14-21/h4-8,13-14,22H,9-12,15-16H2,1-3H3,(H,24,26)
InChIKeyKRTRUWLGNCCGIB-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.18
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide

2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 110304123) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID110304123
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1cccc(C(CNC(=O)COc2ccc(C)c(C)c2)N2CCOCC2)c1
InChIInChI=1S/C23H30N2O3/c1-17-5-4-6-20(13-17)22(25-9-11-27-12-10-25)15-24-23(26)16-28-21-8-7-18(2)19(3)14-21/h4-8,13-14,22H,9-12,15-16H2,1-3H3,(H,24,26)
InChIKeyKRTRUWLGNCCGIB-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 52984366
N-[(2S)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30834684
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 30575745
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 35341646
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 110302989
2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014583
N-(2-morpholin-4-yl-2-phenylethyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 46569876
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 110306577
N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 45155087

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide (CID 110304123) is 2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide is Cc1cccc(C(CNC(=O)COc2ccc(C)c(C)c2)N2CCOCC2)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is KRTRUWLGNCCGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-5-4-6-20(13-17)22(25-9-11-27-12-10-25)15-24-23(26)16-28-21-8-7-18(2)19(3)14-21/h4-8,13-14,22H,9-12,15-16H2,1-3H3,(H,24,26).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 110304123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).