2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide

C28H28Cl2N2O3 — CID 3901190

IUPAC2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide
SMILESCc1cccc(C)c1N(C(=O)Cc1ccccc1)C(=O)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C28H28Cl2N2O3/c1-19-7-6-8-20(2)26(19)32(25(33)17-21-9-4-3-5-10-21)28(34)27(31-13-15-35-16-14-31)23-12-11-22(29)18-24(23)30/h3-12,18,27H,13-17H2,1-2H3
InChIKeyAWVRTHGWRCSNJW-UHFFFAOYSA-N
MW511.45 g/mol
LogP5.79
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide

2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide (PubChem CID 3901190) has the molecular formula C28H28Cl2N2O3 and a molecular weight of 511.45 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide
PubChem CID3901190
Molecular FormulaC28H28Cl2N2O3
Molecular Weight511.45 g/mol
Exact Mass510.15
IUPAC Name2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide
SMILESCc1cccc(C)c1N(C(=O)Cc1ccccc1)C(=O)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C28H28Cl2N2O3/c1-19-7-6-8-20(2)26(19)32(25(33)17-21-9-4-3-5-10-21)28(34)27(31-13-15-35-16-14-31)23-12-11-22(29)18-24(23)30/h3-12,18,27H,13-17H2,1-2H3
InChIKeyAWVRTHGWRCSNJW-UHFFFAOYSA-N
XLogP5.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.45
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide
CID 95781081
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid
CID 119352757
(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 97217806
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
CID 3108201
2-chloro-N-(2,6-dimethylphenyl)-N-[2-morpholin-4-yl-2-(4-nitrophenyl)acetyl]benzamide
CID 3154042
(2S)-2-(2,4-dichlorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]-2-morpholin-4-ylacetamide
CID 100899496
2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 75373916
2-(2,4-dichlorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-morpholin-4-ylacetamide
CID 139005024
(2S)-2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 7279324
(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
CID 93297834
(2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide
CID 97009143

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide (CID 3901190) is 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide is Cc1cccc(C)c1N(C(=O)Cc1ccccc1)C(=O)C(c1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide?
The InChIKey is AWVRTHGWRCSNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N2O3/c1-19-7-6-8-20(2)26(19)32(25(33)17-21-9-4-3-5-10-21)28(34)27(31-13-15-35-16-14-31)23-12-11-22(29)18-24(23)30/h3-12,18,27H,13-17H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide?
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide has a molecular weight of 511.45 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide is sourced from PubChem (CID 3901190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).