N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide

C20H25NO2 — CID 170043652

IUPACN-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide
SMILESCON(C(=O)c1ccccc1)C(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C20H25NO2/c1-14-11-15(2)19(16(3)12-14)13-17(4)21(23-5)20(22)18-9-7-6-8-10-18/h6-12,17H,13H2,1-5H3
InChIKeyKMMBSKSJEZGMKQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.25
Rot. Bonds5

About N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide

N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide (PubChem CID 170043652) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide
PubChem CID170043652
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide
SMILESCON(C(=O)c1ccccc1)C(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C20H25NO2/c1-14-11-15(2)19(16(3)12-14)13-17(4)21(23-5)20(22)18-9-7-6-8-10-18/h6-12,17H,13H2,1-5H3
InChIKeyKMMBSKSJEZGMKQ-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[benzoyl(methoxy)amino]propanoic acid
CID 87436578
2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 133241387
dimethyl 2-[(2,4,6-trimethylphenyl)methyl]propanedioate
CID 94276263
(2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 100554282
N-(3,5-dimethylphenyl)-N-ethylbenzamide
CID 52574489
2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396
3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79616533
1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 62714978
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one
CID 162415494
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
N-(3-methoxy-4-methylphenyl)-N-(2-methylpropyl)benzamide
CID 70967375

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide?
The IUPAC name of N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide (CID 170043652) is N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide.
What is the SMILES notation for N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide?
The canonical SMILES for N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide is CON(C(=O)c1ccccc1)C(C)Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide?
The InChIKey is KMMBSKSJEZGMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-11-15(2)19(16(3)12-14)13-17(4)21(23-5)20(22)18-9-7-6-8-10-18/h6-12,17H,13H2,1-5H3.
What are the key properties of N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide?
N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide has a molecular weight of 311.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 170043652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).