N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide

C16H25NO2 — CID 122141755

IUPACN-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
SMILESCOCCC(C)(C)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H25NO2/c1-12-8-13(2)10-14(9-12)15(18)17-11-16(3,4)6-7-19-5/h8-10H,6-7,11H2,1-5H3,(H,17,18)
InChIKeyAAENBJBSAHUDRV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.10
Rot. Bonds6

About N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide

N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide (PubChem CID 122141755) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
PubChem CID122141755
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
SMILESCOCCC(C)(C)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H25NO2/c1-12-8-13(2)10-14(9-12)15(18)17-11-16(3,4)6-7-19-5/h8-10H,6-7,11H2,1-5H3,(H,17,18)
InChIKeyAAENBJBSAHUDRV-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
N-(3-bromo-2,2-dimethylpropyl)-3,5-dimethylbenzamide
CID 115364940
3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 113434323
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625368
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
CID 103772396
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 111480499
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
CID 113462790
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
CID 114149347

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide (CID 122141755) is N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide is COCCC(C)(C)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide?
The InChIKey is AAENBJBSAHUDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-8-13(2)10-14(9-12)15(18)17-11-16(3,4)6-7-19-5/h8-10H,6-7,11H2,1-5H3,(H,17,18).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide?
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 122141755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).