4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide

C16H19N3O — CID 115375733

IUPAC4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C16H19N3O/c1-11-9-12(17)7-8-15(11)16(20)18-13-5-4-6-14(10-13)19(2)3/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyXTPLSUTYSNZZMA-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.90
Rot. Bonds3

About 4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide

4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide (PubChem CID 115375733) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
PubChem CID115375733
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C16H19N3O/c1-11-9-12(17)7-8-15(11)16(20)18-13-5-4-6-14(10-13)19(2)3/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyXTPLSUTYSNZZMA-UHFFFAOYSA-N
XLogP2.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115377789
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
CID 107033296
2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115375793
3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
CID 115375762
3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide
CID 115375718

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide (CID 115375733) is 4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide is Cc1cc(N)ccc1C(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide?
The InChIKey is XTPLSUTYSNZZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-9-12(17)7-8-15(11)16(20)18-13-5-4-6-14(10-13)19(2)3/h4-10H,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide?
4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide has a molecular weight of 269.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide is sourced from PubChem (CID 115375733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).