5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide

C19H25N3O2 — CID 120647067

IUPAC5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(N)ccc2C)c(OCCN(C)C)c1
InChIInChI=1S/C19H25N3O2/c1-13-5-8-17(18(11-13)24-10-9-22(3)4)21-19(23)16-12-15(20)7-6-14(16)2/h5-8,11-12H,9-10,20H2,1-4H3,(H,21,23)
InChIKeyYWLTVKFEKIJAKE-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds6

About 5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide

5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide (PubChem CID 120647067) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide
PubChem CID120647067
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(N)ccc2C)c(OCCN(C)C)c1
InChIInChI=1S/C19H25N3O2/c1-13-5-8-17(18(11-13)24-10-9-22(3)4)21-19(23)16-12-15(20)7-6-14(16)2/h5-8,11-12H,9-10,20H2,1-4H3,(H,21,23)
InChIKeyYWLTVKFEKIJAKE-UHFFFAOYSA-N
XLogP3.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
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

2-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]acetamide
CID 119889464
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 167985312
5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
CID 120644583
5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide
CID 120637316
5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride
CID 120622397
2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117897
2,5-dimethyl-N-(2-propoxyphenyl)benzamide
CID 78772580
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide
CID 120638221
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide (CID 120647067) is 5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide is Cc1ccc(NC(=O)c2cc(N)ccc2C)c(OCCN(C)C)c1.
What is the InChIKey of 5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide?
The InChIKey is YWLTVKFEKIJAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-5-8-17(18(11-13)24-10-9-22(3)4)21-19(23)16-12-15(20)7-6-14(16)2/h5-8,11-12H,9-10,20H2,1-4H3,(H,21,23).
What are the key properties of 5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide?
5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide has a molecular weight of 327.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide is sourced from PubChem (CID 120647067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).