2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

C17H24N2O2 — CID 62641420

IUPAC2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(C)CCNC(=O)c1ccccc1C#CCCO
InChIInChI=1S/C17H24N2O2/c1-14(2)19(3)12-11-18-17(21)16-10-5-4-8-15(16)9-6-7-13-20/h4-5,8,10,14,20H,7,11-13H2,1-3H3,(H,18,21)
InChIKeyRBBFLTJASVWARC-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.49
Rot. Bonds6

About 2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (PubChem CID 62641420) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
PubChem CID62641420
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(C)CCNC(=O)c1ccccc1C#CCCO
InChIInChI=1S/C17H24N2O2/c1-14(2)19(3)12-11-18-17(21)16-10-5-4-8-15(16)9-6-7-13-20/h4-5,8,10,14,20H,7,11-13H2,1-3H3,(H,18,21)
InChIKeyRBBFLTJASVWARC-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62640326
2-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106049567
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62978560
methyl 3-[[2-(4-hydroxybut-1-ynyl)benzoyl]amino]propanoate
CID 61300517
2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60815475
methyl 2-[[2-(4-hydroxybut-1-ynyl)benzoyl]amino]acetate
CID 54922071
2-(4-hydroxybut-1-ynyl)-N-methyl-N-(3-methylbutyl)benzamide
CID 61429076
N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922339
2-(4-hydroxybut-1-ynyl)-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64644227
2-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60815894
2-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60817182
2-(4-hydroxybut-1-ynyl)-N-(2-methylpentan-3-yl)benzamide
CID 61471494

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (CID 62641420) is 2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is CC(C)N(C)CCNC(=O)c1ccccc1C#CCCO.
What is the InChIKey of 2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is RBBFLTJASVWARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14(2)19(3)12-11-18-17(21)16-10-5-4-8-15(16)9-6-7-13-20/h4-5,8,10,14,20H,7,11-13H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 288.39 g/mol, XLogP of 1.49, 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-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 62641420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).