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

C16H22N2O2 — CID 62640326

IUPACN-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCCN(C)CCNC(=O)c1ccccc1C#CCCO
InChIInChI=1S/C16H22N2O2/c1-3-18(2)12-11-17-16(20)15-10-5-4-8-14(15)9-6-7-13-19/h4-5,8,10,19H,3,7,11-13H2,1-2H3,(H,17,20)
InChIKeyLHJNTLCNOXBIKO-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.10
Rot. Bonds6

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

N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 62640326) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
PubChem CID62640326
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCCN(C)CCNC(=O)c1ccccc1C#CCCO
InChIInChI=1S/C16H22N2O2/c1-3-18(2)12-11-17-16(20)15-10-5-4-8-14(15)9-6-7-13-19/h4-5,8,10,19H,3,7,11-13H2,1-2H3,(H,17,20)
InChIKeyLHJNTLCNOXBIKO-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.10
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

2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641420
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62978560
2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60815475
methyl 3-[[2-(4-hydroxybut-1-ynyl)benzoyl]amino]propanoate
CID 61300517
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
methyl 2-[[2-(4-hydroxybut-1-ynyl)benzoyl]amino]acetate
CID 54922071
2-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60815894
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922339
2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63960510
2-(4-hydroxybut-1-ynyl)-N-(2-methylpentan-3-yl)benzamide
CID 61471494
2-(4-hydroxybut-1-ynyl)-N-methyl-N-(3-methylbutyl)benzamide
CID 61429076

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide (CID 62640326) is N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide is CCN(C)CCNC(=O)c1ccccc1C#CCCO.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is LHJNTLCNOXBIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18(2)12-11-17-16(20)15-10-5-4-8-14(15)9-6-7-13-19/h4-5,8,10,19H,3,7,11-13H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide?
N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 274.36 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 62640326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).