N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide

C15H23NO4 — CID 107866608

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
SMILESCCC(CO)(CO)NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H23NO4/c1-4-15(9-17,10-18)16-14(19)12-6-5-7-13(8-12)20-11(2)3/h5-8,11,17-18H,4,9-10H2,1-3H3,(H,16,19)
InChIKeyFOWYESMMRZHCNO-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.34
Rot. Bonds7

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide (PubChem CID 107866608) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
PubChem CID107866608
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
SMILESCCC(CO)(CO)NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H23NO4/c1-4-15(9-17,10-18)16-14(19)12-6-5-7-13(8-12)20-11(2)3/h5-8,11,17-18H,4,9-10H2,1-3H3,(H,16,19)
InChIKeyFOWYESMMRZHCNO-UHFFFAOYSA-N
XLogP1.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069
3-(difluoromethoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 103602179
N-(3-carbamothioylpentan-3-yl)-3-propan-2-yloxybenzamide
CID 62920330
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-methylpropoxy)benzamide
CID 107845536
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide
CID 103604607
N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
CID 63765536
N-(3-ethylpentan-3-yl)-3-hydroxybenzamide
CID 65041341
N-[3-(hydroxymethyl)pentan-3-yl]-3-nitrobenzamide
CID 55082199
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide (CID 107866608) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide is CCC(CO)(CO)NC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide?
The InChIKey is FOWYESMMRZHCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-15(9-17,10-18)16-14(19)12-6-5-7-13(8-12)20-11(2)3/h5-8,11,17-18H,4,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 107866608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).