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

C17H22N2O2 — CID 62978560

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCN(CCNC(=O)c1ccccc1C#CCCO)C1CC1
InChIInChI=1S/C17H22N2O2/c1-19(15-9-10-15)12-11-18-17(21)16-8-3-2-6-14(16)7-4-5-13-20/h2-3,6,8,15,20H,5,9-13H2,1H3,(H,18,21)
InChIKeyQHKBNVQIAGXEMP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.24
Rot. Bonds6

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

N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 62978560) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
PubChem CID62978560
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCN(CCNC(=O)c1ccccc1C#CCCO)C1CC1
InChIInChI=1S/C17H22N2O2/c1-19(15-9-10-15)12-11-18-17(21)16-8-3-2-6-14(16)7-4-5-13-20/h2-3,6,8,15,20H,5,9-13H2,1H3,(H,18,21)
InChIKeyQHKBNVQIAGXEMP-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.24
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

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CID 25010776
(S)-N-(cyclopropylmethyl)-2-isopropyl-N-(pyrrolidin-3-yl)benzamide
CID 45270171
(S)-2-isopropyl-N-propyl-N-(pyrrolidin-3-yl)benzamide
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CID 46882938

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide (CID 62978560) is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide is CN(CCNC(=O)c1ccccc1C#CCCO)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is QHKBNVQIAGXEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(15-9-10-15)12-11-18-17(21)16-8-3-2-6-14(16)7-4-5-13-20/h2-3,6,8,15,20H,5,9-13H2,1H3,(H,18,21).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 286.38 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 62978560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).