2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide

C15H19NO3 — CID 60815475

IUPAC2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccccc1C#CCCO
InChIInChI=1S/C15H19NO3/c1-19-12-6-10-16-15(18)14-9-3-2-7-13(14)8-4-5-11-17/h2-3,7,9,17H,5-6,10-12H2,1H3,(H,16,18)
InChIKeyBLVMZTBFGNNETK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.19
Rot. Bonds6

About 2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide

2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide (PubChem CID 60815475) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide
PubChem CID60815475
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccccc1C#CCCO
InChIInChI=1S/C15H19NO3/c1-19-12-6-10-16-15(18)14-9-3-2-7-13(14)8-4-5-11-17/h2-3,7,9,17H,5-6,10-12H2,1H3,(H,16,18)
InChIKeyBLVMZTBFGNNETK-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-(4-hydroxybut-1-ynyl)benzoyl]amino]propanoate
CID 61300517
methyl 2-[[2-(4-hydroxybut-1-ynyl)benzoyl]amino]acetate
CID 54922071
2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641420
N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62640326
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62978560
2-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60815894
2-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yloxybutyl)benzamide
CID 106005836
N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816584
2-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]benzamide
CID 106342056
2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
CID 60816526
2-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106049567
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide (CID 60815475) is 2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccccc1C#CCCO.
What is the InChIKey of 2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide?
The InChIKey is BLVMZTBFGNNETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-12-6-10-16-15(18)14-9-3-2-7-13(14)8-4-5-11-17/h2-3,7,9,17H,5-6,10-12H2,1H3,(H,16,18).
What are the key properties of 2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide?
2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 60815475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).