4-(2-aminoethoxy)-N-butan-2-ylbenzamide

C13H20N2O2 — CID 112500864

IUPAC4-(2-aminoethoxy)-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C13H20N2O2/c1-3-10(2)15-13(16)11-4-6-12(7-5-11)17-9-8-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyNTXMVOPOZNSYRD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds6

About 4-(2-aminoethoxy)-N-butan-2-ylbenzamide

4-(2-aminoethoxy)-N-butan-2-ylbenzamide (PubChem CID 112500864) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-butan-2-ylbenzamide
PubChem CID112500864
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(2-aminoethoxy)-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C13H20N2O2/c1-3-10(2)15-13(16)11-4-6-12(7-5-11)17-9-8-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyNTXMVOPOZNSYRD-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane
CID 143299998
N-(butan-2-ylcarbamothioyl)-4-(3-methylbutoxy)benzamide
CID 17137482

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-butan-2-ylbenzamide?
The IUPAC name of 4-(2-aminoethoxy)-N-butan-2-ylbenzamide (CID 112500864) is 4-(2-aminoethoxy)-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-butan-2-ylbenzamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(OCCN)cc1.
What is the InChIKey of 4-(2-aminoethoxy)-N-butan-2-ylbenzamide?
The InChIKey is NTXMVOPOZNSYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10(2)15-13(16)11-4-6-12(7-5-11)17-9-8-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-aminoethoxy)-N-butan-2-ylbenzamide?
4-(2-aminoethoxy)-N-butan-2-ylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-butan-2-ylbenzamide is sourced from PubChem (CID 112500864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).