N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide

C16H20N2O3 — CID 103103851

IUPACN-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide
SMILESCCN(CC(N)=O)C(=O)c1cccc(C#CCCO)c1C
InChIInChI=1S/C16H20N2O3/c1-3-18(11-15(17)20)16(21)14-9-6-8-13(12(14)2)7-4-5-10-19/h6,8-9,19H,3,5,10-11H2,1-2H3,(H2,17,20)
InChIKeyIPVATALBNCZVQA-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.68
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide

N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide (PubChem CID 103103851) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide
PubChem CID103103851
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide
SMILESCCN(CC(N)=O)C(=O)c1cccc(C#CCCO)c1C
InChIInChI=1S/C16H20N2O3/c1-3-18(11-15(17)20)16(21)14-9-6-8-13(12(14)2)7-4-5-10-19/h6,8-9,19H,3,5,10-11H2,1-2H3,(H2,17,20)
InChIKeyIPVATALBNCZVQA-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.68
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-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide
CID 103103874
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 103103852
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
N-(2-amino-2-oxoethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 103103815
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide
CID 76928775
3-(4-hydroxybut-1-ynyl)-N-(2-methoxy-2-methylpropyl)-2-methylbenzamide
CID 104764882
N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 81112077
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
3-(4-chlorobut-1-ynyl)-2-methylbenzoic acid
CID 170468019
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107099465

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide (CID 103103851) is N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide is CCN(CC(N)=O)C(=O)c1cccc(C#CCCO)c1C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide?
The InChIKey is IPVATALBNCZVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-18(11-15(17)20)16(21)14-9-6-8-13(12(14)2)7-4-5-10-19/h6,8-9,19H,3,5,10-11H2,1-2H3,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide?
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide has a molecular weight of 288.35 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide is sourced from PubChem (CID 103103851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).