5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide

C19H23N3O2 — CID 120631954

IUPAC5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C19H23N3O2/c1-11(2)21-18(23)16-8-7-15(9-13(16)4)22-19(24)17-10-14(20)6-5-12(17)3/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyQEMZUEPQICRZAZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.28
Rot. Bonds4

About 5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide

5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 120631954) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID120631954
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C19H23N3O2/c1-11(2)21-18(23)16-8-7-15(9-13(16)4)22-19(24)17-10-14(20)6-5-12(17)3/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyQEMZUEPQICRZAZ-UHFFFAOYSA-N
XLogP3.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321678
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide
CID 61090008
5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 120626212
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119780262
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 120592023

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide (CID 120631954) is 5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide is Cc1ccc(N)cc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1.
What is the InChIKey of 5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is QEMZUEPQICRZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-11(2)21-18(23)16-8-7-15(9-13(16)4)22-19(24)17-10-14(20)6-5-12(17)3/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide?
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 120631954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).