4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide

C17H21N3O — CID 63361174

IUPAC4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide
SMILESCc1ccc(Nc2cc(C(=O)N(C)C)ccc2N)c(C)c1
InChIInChI=1S/C17H21N3O/c1-11-5-8-15(12(2)9-11)19-16-10-13(6-7-14(16)18)17(21)20(3)4/h5-10,19H,18H2,1-4H3
InChIKeyMFQQUCQTVNOURX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.33
Rot. Bonds3

About 4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide

4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide (PubChem CID 63361174) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide
PubChem CID63361174
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide
SMILESCc1ccc(Nc2cc(C(=O)N(C)C)ccc2N)c(C)c1
InChIInChI=1S/C17H21N3O/c1-11-5-8-15(12(2)9-11)19-16-10-13(6-7-14(16)18)17(21)20(3)4/h5-10,19H,18H2,1-4H3
InChIKeyMFQQUCQTVNOURX-UHFFFAOYSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.33
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

4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide
CID 63360647
4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide
CID 81251794
4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide
CID 63360601
4-hydrazinyl-N,N,3-trimethylbenzamide
CID 63211691
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
4-bromo-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 65343203
4-chloro-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 115468556
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
CID 113485307
4-amino-3-(2-bromo-5-methylanilino)benzoic acid
CID 82796286
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide (CID 63361174) is 4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide is Cc1ccc(Nc2cc(C(=O)N(C)C)ccc2N)c(C)c1.
What is the InChIKey of 4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide?
The InChIKey is MFQQUCQTVNOURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-5-8-15(12(2)9-11)19-16-10-13(6-7-14(16)18)17(21)20(3)4/h5-10,19H,18H2,1-4H3.
What are the key properties of 4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide?
4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide is sourced from PubChem (CID 63361174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).