4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide

C20H24N2O3 — CID 24550092

IUPAC4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide
SMILESCc1ccc(CCCNC(=O)c2ccc(OCC(N)=O)cc2)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-14-5-6-16(15(2)12-14)4-3-11-22-20(24)17-7-9-18(10-8-17)25-13-19(21)23/h5-10,12H,3-4,11,13H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyDXGCKHATNARKLQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.53
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide

4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide (PubChem CID 24550092) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide
PubChem CID24550092
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide
SMILESCc1ccc(CCCNC(=O)c2ccc(OCC(N)=O)cc2)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-14-5-6-16(15(2)12-14)4-3-11-22-20(24)17-7-9-18(10-8-17)25-13-19(21)23/h5-10,12H,3-4,11,13H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyDXGCKHATNARKLQ-UHFFFAOYSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide
CID 24532417
4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
CID 24517297
N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide
CID 24550071
4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9085515
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 3265840
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044181
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678370
4-(2-amino-2-oxoethoxy)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methoxybenzamide
CID 119159659
[4-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propylcarbamoyl]phenyl] ethyl carbonate
CID 108932305

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide (CID 24550092) is 4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide is Cc1ccc(CCCNC(=O)c2ccc(OCC(N)=O)cc2)c(C)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide?
The InChIKey is DXGCKHATNARKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-5-6-16(15(2)12-14)4-3-11-22-20(24)17-7-9-18(10-8-17)25-13-19(21)23/h5-10,12H,3-4,11,13H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide is sourced from PubChem (CID 24550092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).