2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide

C15H23NO2 — CID 110762907

IUPAC2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
SMILESCOc1cc(C(C)C)ccc1C(=O)NCC(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)9-16-15(17)13-7-6-12(11(3)4)8-14(13)18-5/h6-8,10-11H,9H2,1-5H3,(H,16,17)
InChIKeyPNCLCEQHGGSKEF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.20
Rot. Bonds5

About 2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide

2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide (PubChem CID 110762907) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
PubChem CID110762907
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
SMILESCOc1cc(C(C)C)ccc1C(=O)NCC(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)9-16-15(17)13-7-6-12(11(3)4)8-14(13)18-5/h6-8,10-11H,9H2,1-5H3,(H,16,17)
InChIKeyPNCLCEQHGGSKEF-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 115271618
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200
N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide
CID 110762942
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
CID 107157714

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide?
The IUPAC name of 2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide (CID 110762907) is 2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for 2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide?
The canonical SMILES for 2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide is COc1cc(C(C)C)ccc1C(=O)NCC(C)C.
What is the InChIKey of 2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide?
The InChIKey is PNCLCEQHGGSKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)9-16-15(17)13-7-6-12(11(3)4)8-14(13)18-5/h6-8,10-11H,9H2,1-5H3,(H,16,17).
What are the key properties of 2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide?
2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 110762907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).