3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide

C19H22N2O3 — CID 16618761

IUPAC3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C19H22N2O3/c1-12(2)16-8-7-13(3)9-17(16)24-11-18(22)21-15-6-4-5-14(10-15)19(20)23/h4-10,12H,11H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeyRVDCMGFDMSJXLT-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.23
Rot. Bonds6

About 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide

3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide (PubChem CID 16618761) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
PubChem CID16618761
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C19H22N2O3/c1-12(2)16-8-7-13(3)9-17(16)24-11-18(22)21-15-6-4-5-14(10-15)19(20)23/h4-10,12H,11H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeyRVDCMGFDMSJXLT-UHFFFAOYSA-N
XLogP3.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26164580
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422
N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17198816
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877767
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929725
[2-(3-chloroanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839443
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1325958

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide (CID 16618761) is 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The InChIKey is RVDCMGFDMSJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)16-8-7-13(3)9-17(16)24-11-18(22)21-15-6-4-5-14(10-15)19(20)23/h4-10,12H,11H2,1-3H3,(H2,20,23)(H,21,22).
What are the key properties of 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 16618761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).