N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide

C17H25NO3 — CID 134023713

IUPACN-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCC(C)CCNC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C17H25NO3/c1-13(2)8-9-18-17(19)14-5-3-6-15(11-14)21-12-16-7-4-10-20-16/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3,(H,18,19)
InChIKeyVGMMUCQZWHVJJT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.02
Rot. Bonds7

About N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide

N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 134023713) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID134023713
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCC(C)CCNC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C17H25NO3/c1-13(2)8-9-18-17(19)14-5-3-6-15(11-14)21-12-16-7-4-10-20-16/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3,(H,18,19)
InChIKeyVGMMUCQZWHVJJT-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 94023247
(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364315
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044181
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 95781316

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide (CID 134023713) is N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide is CC(C)CCNC(=O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is VGMMUCQZWHVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)8-9-18-17(19)14-5-3-6-15(11-14)21-12-16-7-4-10-20-16/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 291.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 134023713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).