N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide

C15H23NO5 — CID 115735137

IUPACN-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide
SMILESCCC(CCO)NC(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-5-10(8-9-17)16-15(18)11-6-7-12(19-2)14(21-4)13(11)20-3/h6-7,10,17H,5,8-9H2,1-4H3,(H,16,18)
InChIKeyPCBJIRKAPSFVAT-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.60
Rot. Bonds8

About N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide

N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide (PubChem CID 115735137) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide
PubChem CID115735137
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC NameN-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide
SMILESCCC(CCO)NC(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-5-10(8-9-17)16-15(18)11-6-7-12(19-2)14(21-4)13(11)20-3/h6-7,10,17H,5,8-9H2,1-4H3,(H,16,18)
InChIKeyPCBJIRKAPSFVAT-UHFFFAOYSA-N
XLogP1.60
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
3-[(2,3,4-trimethoxybenzoyl)amino]butanoic acid
CID 43410447
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide
CID 115767251
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide
CID 60574123
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
2-chloro-N-(1-hydroxypentan-3-yl)-4-methylbenzamide
CID 106509851
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
N-(1-hydroxypentan-3-yl)-3-(2-methoxyphenyl)propanamide
CID 115767199
1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea
CID 111455135

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide (CID 115735137) is N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide is CCC(CCO)NC(=O)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide?
The InChIKey is PCBJIRKAPSFVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-5-10(8-9-17)16-15(18)11-6-7-12(19-2)14(21-4)13(11)20-3/h6-7,10,17H,5,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide?
N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide has a molecular weight of 297.35 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 115735137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).