N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide

C15H23NO2 — CID 60645984

IUPACN-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-12(4)16-15(17)14-8-6-13(7-9-14)10-18-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,16,17)
InChIKeyZVVPTKNFNNCOHP-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.14
Rot. Bonds6

About N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide

N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide (PubChem CID 60645984) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
PubChem CID60645984
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-12(4)16-15(17)14-8-6-13(7-9-14)10-18-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,16,17)
InChIKeyZVVPTKNFNNCOHP-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115767414
N-butan-2-yl-4-(sulfanylmethyl)benzamide
CID 156809671
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
CID 61244206
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-butan-2-yl-4-(sulfanylmethyl)benzamide;formamide
CID 156809670
2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid
CID 61263016
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide (CID 60645984) is N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide is CCC(C)NC(=O)c1ccc(COC(C)C)cc1.
What is the InChIKey of N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is ZVVPTKNFNNCOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12(4)16-15(17)14-8-6-13(7-9-14)10-18-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,16,17).
What are the key properties of N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide?
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 249.35 g/mol, XLogP of 3.14, 6 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-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 60645984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).