N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide

C16H25NO3 — CID 103843624

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide
SMILESCCC(CC)(CO)CNC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C16H25NO3/c1-5-16(6-2,11-18)10-17-15(19)13-9-12(3)7-8-14(13)20-4/h7-9,18H,5-6,10-11H2,1-4H3,(H,17,19)
InChIKeyRDZQACQDQYUTPG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.53
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide (PubChem CID 103843624) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide
PubChem CID103843624
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide
SMILESCCC(CC)(CO)CNC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C16H25NO3/c1-5-16(6-2,11-18)10-17-15(19)13-9-12(3)7-8-14(13)20-4/h7-9,18H,5-6,10-11H2,1-4H3,(H,17,19)
InChIKeyRDZQACQDQYUTPG-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
CID 103712986
3-hydroxy-4-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 66001346
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide
CID 103844616
2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
CID 103843830
2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
CID 79806703
N-(2-aminopentyl)-2-methoxy-5-methylbenzamide
CID 115737842
N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide
CID 114164499
2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 64994334
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide
CID 113275633
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide (CID 103843624) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide is CCC(CC)(CO)CNC(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide?
The InChIKey is RDZQACQDQYUTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-16(6-2,11-18)10-17-15(19)13-9-12(3)7-8-14(13)20-4/h7-9,18H,5-6,10-11H2,1-4H3,(H,17,19).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 103843624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).