N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide

C21H24N2O3 — CID 46761183

IUPACN-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(OCC(=O)Nc2cccc(NC(=O)C3CC3)c2C)c(C)c1
InChIInChI=1S/C21H24N2O3/c1-13-7-10-19(14(2)11-13)26-12-20(24)22-17-5-4-6-18(15(17)3)23-21(25)16-8-9-16/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyJTGFTGADPSNPRL-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.98
Rot. Bonds6

About N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 46761183) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID46761183
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(OCC(=O)Nc2cccc(NC(=O)C3CC3)c2C)c(C)c1
InChIInChI=1S/C21H24N2O3/c1-13-7-10-19(14(2)11-13)26-12-20(24)22-17-5-4-6-18(15(17)3)23-21(25)16-8-9-16/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyJTGFTGADPSNPRL-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761205
N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 16781912
2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
CID 23932880
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300862
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 24673628
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876328
4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid
CID 46761186
2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide (CID 46761183) is N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide is Cc1ccc(OCC(=O)Nc2cccc(NC(=O)C3CC3)c2C)c(C)c1.
What is the InChIKey of N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is JTGFTGADPSNPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-7-10-19(14(2)11-13)26-12-20(24)22-17-5-4-6-18(15(17)3)23-21(25)16-8-9-16/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46761183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).