5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide

C19H23N3O3 — CID 120638221

IUPAC5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(N)ccc1C
InChIInChI=1S/C19H23N3O3/c1-5-25-17-9-7-13(19(24)22(3)4)10-16(17)21-18(23)15-11-14(20)8-6-12(15)2/h6-11H,5,20H2,1-4H3,(H,21,23)
InChIKeyPPUMOOFYLXCDGJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.93
Rot. Bonds5

About 5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide

5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide (PubChem CID 120638221) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide
PubChem CID120638221
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(N)ccc1C
InChIInChI=1S/C19H23N3O3/c1-5-25-17-9-7-13(19(24)22(3)4)10-16(17)21-18(23)15-11-14(20)8-6-12(15)2/h6-11H,5,20H2,1-4H3,(H,21,23)
InChIKeyPPUMOOFYLXCDGJ-UHFFFAOYSA-N
XLogP2.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409
4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide
CID 166323346
3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
CID 164620621
N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
3-(2-aminopentanoylamino)-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119342429
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119816573
5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119148530
5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide
CID 120647067
N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 120569013
5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 120630743
5-amino-2-ethoxy-N-ethylbenzamide
CID 28689994

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide (CID 120638221) is 5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide is CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide?
The InChIKey is PPUMOOFYLXCDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-5-25-17-9-7-13(19(24)22(3)4)10-16(17)21-18(23)15-11-14(20)8-6-12(15)2/h6-11H,5,20H2,1-4H3,(H,21,23).
What are the key properties of 5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide?
5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 120638221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).