4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide

C16H25NO3 — CID 66772927

IUPAC4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide
SMILESCOCC(CC(C)C)NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H25NO3/c1-11(2)8-14(10-19-4)17-16(18)13-6-7-15(20-5)12(3)9-13/h6-7,9,11,14H,8,10H2,1-5H3,(H,17,18)
InChIKeyIECDTCOBKGZEOR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.79
Rot. Bonds7

About 4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide

4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide (PubChem CID 66772927) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide
PubChem CID66772927
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide
SMILESCOCC(CC(C)C)NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H25NO3/c1-11(2)8-14(10-19-4)17-16(18)13-6-7-15(20-5)12(3)9-13/h6-7,9,11,14H,8,10H2,1-5H3,(H,17,18)
InChIKeyIECDTCOBKGZEOR-UHFFFAOYSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114151199
N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 114300958
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
N-(1-hydroxy-4-methoxybutan-2-yl)-3,4-dimethylbenzamide
CID 114211261
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide?
The IUPAC name of 4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide (CID 66772927) is 4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide?
The canonical SMILES for 4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide is COCC(CC(C)C)NC(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide?
The InChIKey is IECDTCOBKGZEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)8-14(10-19-4)17-16(18)13-6-7-15(20-5)12(3)9-13/h6-7,9,11,14H,8,10H2,1-5H3,(H,17,18).
What are the key properties of 4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide?
4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 66772927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).