2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne

C13H20N2O2 — CID 143940504

IUPAC2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne
SMILESC#CC.CC.CNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C8H10N2O2.C3H4.C2H6/c1-10-8(12)6-4-5(11)2-3-7(6)9;1-3-2;1-2/h2-4,11H,9H2,1H3,(H,10,12);1H,2H3;1-2H3
InChIKeyCVZMAMGUOQWRGY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.00
Rot. Bonds1

About 2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne

2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne (PubChem CID 143940504) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne
PubChem CID143940504
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne
SMILESC#CC.CC.CNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C8H10N2O2.C3H4.C2H6/c1-10-8(12)6-4-5(11)2-3-7(6)9;1-3-2;1-2/h2-4,11H,9H2,1H3,(H,10,12);1H,2H3;1-2H3
InChIKeyCVZMAMGUOQWRGY-UHFFFAOYSA-N
XLogP2.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide
CID 102739361
2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
CID 106223358
2-amino-5-hydroxy-N',N'-dimethylbenzohydrazide
CID 107075849
N-(4-acetamidophenyl)-2-amino-5-hydroxybenzamide
CID 107073912
2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
2-amino-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 107075650
2-amino-5-hydroxy-N-(3-methylcyclobutyl)benzamide
CID 107076024
2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107075481
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
CID 107076071
2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 102739297
2-amino-N-(2,4-dichlorophenyl)-5-hydroxybenzamide
CID 107073840

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne?
The IUPAC name of 2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne (CID 143940504) is 2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne.
What is the SMILES notation for 2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne?
The canonical SMILES for 2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne is C#CC.CC.CNC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne?
The InChIKey is CVZMAMGUOQWRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C3H4.C2H6/c1-10-8(12)6-4-5(11)2-3-7(6)9;1-3-2;1-2/h2-4,11H,9H2,1H3,(H,10,12);1H,2H3;1-2H3.
What are the key properties of 2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne?
2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne has a molecular weight of 236.31 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne is sourced from PubChem (CID 143940504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).