2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide

C19H23N3O2 — CID 70387318

IUPAC2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide
SMILESCC(=O)c1ccccc1-c1c(N)cccc1C(=O)NCCN(C)C
InChIInChI=1S/C19H23N3O2/c1-13(23)14-7-4-5-8-15(14)18-16(9-6-10-17(18)20)19(24)21-11-12-22(2)3/h4-10H,11-12,20H2,1-3H3,(H,21,24)
InChIKeyMYOGOEROZYJHLD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.43
Rot. Bonds6

About 2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide

2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 70387318) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID70387318
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide
SMILESCC(=O)c1ccccc1-c1c(N)cccc1C(=O)NCCN(C)C
InChIInChI=1S/C19H23N3O2/c1-13(23)14-7-4-5-8-15(14)18-16(9-6-10-17(18)20)19(24)21-11-12-22(2)3/h4-10H,11-12,20H2,1-3H3,(H,21,24)
InChIKeyMYOGOEROZYJHLD-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.43
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

3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 172646860
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid
CID 123504584
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053554
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848
3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614
2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119946988

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide (CID 70387318) is 2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide is CC(=O)c1ccccc1-c1c(N)cccc1C(=O)NCCN(C)C.
What is the InChIKey of 2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is MYOGOEROZYJHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(23)14-7-4-5-8-15(14)18-16(9-6-10-17(18)20)19(24)21-11-12-22(2)3/h4-10H,11-12,20H2,1-3H3,(H,21,24).
What are the key properties of 2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide?
2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 70387318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).