N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide

C22H24N2O3 — CID 172670285

IUPACN-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1ccc(C(=O)N2CC=CC2)cc1NC(=O)COc1cccc(C)c1C
InChIInChI=1S/C22H24N2O3/c1-15-7-6-8-20(17(15)3)27-14-21(25)23-19-13-18(10-9-16(19)2)22(26)24-11-4-5-12-24/h4-10,13H,11-12,14H2,1-3H3,(H,23,25)
InChIKeySGOPQHCLGSNFPI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.64
Rot. Bonds5

About N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide

N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 172670285) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID172670285
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1ccc(C(=O)N2CC=CC2)cc1NC(=O)COc1cccc(C)c1C
InChIInChI=1S/C22H24N2O3/c1-15-7-6-8-20(17(15)3)27-14-21(25)23-19-13-18(10-9-16(19)2)22(26)24-11-4-5-12-24/h4-10,13H,11-12,14H2,1-3H3,(H,23,25)
InChIKeySGOPQHCLGSNFPI-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593
N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761130
methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 8909813
N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide
CID 172669326
2-(2,3-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 17380454
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
N-(5-chloro-2-fluorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 8759085
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
3-amino-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 82034375

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide (CID 172670285) is N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide is Cc1ccc(C(=O)N2CC=CC2)cc1NC(=O)COc1cccc(C)c1C.
What is the InChIKey of N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is SGOPQHCLGSNFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-7-6-8-20(17(15)3)27-14-21(25)23-19-13-18(10-9-16(19)2)22(26)24-11-4-5-12-24/h4-10,13H,11-12,14H2,1-3H3,(H,23,25).
What are the key properties of N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide?
N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 172670285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).