4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide

C16H19N3O — CID 43700590

IUPAC4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C16H19N3O/c1-11-10-14(19(2)3)8-9-15(11)18-16(20)12-4-6-13(17)7-5-12/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyXSAJNUZQTOBYIQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.90
Rot. Bonds3

About 4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide

4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide (PubChem CID 43700590) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
PubChem CID43700590
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C16H19N3O/c1-11-10-14(19(2)3)8-9-15(11)18-16(20)12-4-6-13(17)7-5-12/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyXSAJNUZQTOBYIQ-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_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide
CID 103144355
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide
CID 55709594
N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide
CID 78948667
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228
3-(dimethylamino)-N-(2,4-dimethylphenyl)benzamide
CID 2081678
N-[4-(dimethylamino)-2-methylphenyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261783
3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
CID 24695586
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide?
The IUPAC name of 4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide (CID 43700590) is 4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide is Cc1cc(N(C)C)ccc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide?
The InChIKey is XSAJNUZQTOBYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-10-14(19(2)3)8-9-15(11)18-16(20)12-4-6-13(17)7-5-12/h4-10H,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide?
4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide 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-[4-(dimethylamino)-2-methylphenyl]benzamide is sourced from PubChem (CID 43700590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).