N-butan-2-yl-4-(3-methylbutoxy)benzamide

C16H25NO2 — CID 17137403

IUPACN-butan-2-yl-4-(3-methylbutoxy)benzamide
SMILESCCC(C)NC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-13(4)17-16(18)14-6-8-15(9-7-14)19-11-10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyQHZJHIAWFYPLND-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.64
Rot. Bonds7

About N-butan-2-yl-4-(3-methylbutoxy)benzamide

N-butan-2-yl-4-(3-methylbutoxy)benzamide (PubChem CID 17137403) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-butan-2-yl-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(3-methylbutoxy)benzamide
PubChem CID17137403
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-butan-2-yl-4-(3-methylbutoxy)benzamide
SMILESCCC(C)NC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-13(4)17-16(18)14-6-8-15(9-7-14)19-11-10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyQHZJHIAWFYPLND-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
N-(butan-2-ylcarbamothioyl)-4-(3-methylbutoxy)benzamide
CID 17137482
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-butan-2-yl-3-[[4-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide
CID 17199234
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide
CID 82069989
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-butan-2-yl-4-(3-methylbutoxy)benzamide (CID 17137403) is N-butan-2-yl-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-butan-2-yl-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-butan-2-yl-4-(3-methylbutoxy)benzamide is CCC(C)NC(=O)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of N-butan-2-yl-4-(3-methylbutoxy)benzamide?
The InChIKey is QHZJHIAWFYPLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-13(4)17-16(18)14-6-8-15(9-7-14)19-11-10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of N-butan-2-yl-4-(3-methylbutoxy)benzamide?
N-butan-2-yl-4-(3-methylbutoxy)benzamide has a molecular weight of 263.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17137403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).