N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide

C19H23N3O2 — CID 120623542

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
SMILESCCN(Cc1ccccc1NC(=O)c1cc(N)ccc1C)C(C)=O
InChIInChI=1S/C19H23N3O2/c1-4-22(14(3)23)12-15-7-5-6-8-18(15)21-19(24)17-11-16(20)10-9-13(17)2/h5-11H,4,12,20H2,1-3H3,(H,21,24)
InChIKeyNQEXYJYSTFLESK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.20
Rot. Bonds5

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide (PubChem CID 120623542) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
PubChem CID120623542
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
SMILESCCN(Cc1ccccc1NC(=O)c1cc(N)ccc1C)C(C)=O
InChIInChI=1S/C19H23N3O2/c1-4-22(14(3)23)12-15-7-5-6-8-18(15)21-19(24)17-11-16(20)10-9-13(17)2/h5-11H,4,12,20H2,1-3H3,(H,21,24)
InChIKeyNQEXYJYSTFLESK-UHFFFAOYSA-N
XLogP3.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
CID 60553266
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dimethoxybenzamide
CID 86982939
5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 120645731
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 46434978
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 34717716
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 39869500
5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride
CID 120635670

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide (CID 120623542) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide is CCN(Cc1ccccc1NC(=O)c1cc(N)ccc1C)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide?
The InChIKey is NQEXYJYSTFLESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-22(14(3)23)12-15-7-5-6-8-18(15)21-19(24)17-11-16(20)10-9-13(17)2/h5-11H,4,12,20H2,1-3H3,(H,21,24).
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide is sourced from PubChem (CID 120623542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).