N-(1-hydroxypropan-2-yl)-4-propoxybenzamide

C13H19NO3 — CID 43418970

IUPACN-(1-hydroxypropan-2-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(C)CO)cc1
InChIInChI=1S/C13H19NO3/c1-3-8-17-12-6-4-11(5-7-12)13(16)14-10(2)9-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyCUCHUBBFBXKUEG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-4-propoxybenzamide

N-(1-hydroxypropan-2-yl)-4-propoxybenzamide (PubChem CID 43418970) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-propoxybenzamide
PubChem CID43418970
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(1-hydroxypropan-2-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(C)CO)cc1
InChIInChI=1S/C13H19NO3/c1-3-8-17-12-6-4-11(5-7-12)13(16)14-10(2)9-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyCUCHUBBFBXKUEG-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-propoxybenzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-propoxybenzamide (CID 43418970) is N-(1-hydroxypropan-2-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-propoxybenzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)NC(C)CO)cc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-propoxybenzamide?
The InChIKey is CUCHUBBFBXKUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-8-17-12-6-4-11(5-7-12)13(16)14-10(2)9-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-propoxybenzamide?
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-propoxybenzamide is sourced from PubChem (CID 43418970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).