2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide

C22H26ClN3O3 — CID 86899713

IUPAC2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CNC2(c3ccc(Cl)cc3)CCOCC2)cc1C
InChIInChI=1S/C22H26ClN3O3/c1-15-3-8-19(13-16(15)2)25-21(28)26-20(27)14-24-22(9-11-29-12-10-22)17-4-6-18(23)7-5-17/h3-8,13,24H,9-12,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyUESUXMZGFPOKJT-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.90
Rot. Bonds5

About 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide

2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide (PubChem CID 86899713) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
PubChem CID86899713
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CNC2(c3ccc(Cl)cc3)CCOCC2)cc1C
InChIInChI=1S/C22H26ClN3O3/c1-15-3-8-19(13-16(15)2)25-21(28)26-20(27)14-24-22(9-11-29-12-10-22)17-4-6-18(23)7-5-17/h3-8,13,24H,9-12,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyUESUXMZGFPOKJT-UHFFFAOYSA-N
XLogP3.90
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide with MolForge

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Related Compounds

2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide
CID 56783659
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56783660
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27213272
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397875
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 78929604
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(3,4-dimethylphenyl)urea
CID 3653715
[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3,4-dimethylphenyl)carbamate
CID 59778602
4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
CID 100685863
4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide
CID 100685928
N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide
CID 138992450
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide (CID 86899713) is 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide is Cc1ccc(NC(=O)NC(=O)CNC2(c3ccc(Cl)cc3)CCOCC2)cc1C.
What is the InChIKey of 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide?
The InChIKey is UESUXMZGFPOKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-15-3-8-19(13-16(15)2)25-21(28)26-20(27)14-24-22(9-11-29-12-10-22)17-4-6-18(23)7-5-17/h3-8,13,24H,9-12,14H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide?
2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide has a molecular weight of 415.92 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 86899713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).