2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide

C13H18N2O3 — CID 114182874

IUPAC2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
SMILESC=CCCOCCNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H18N2O3/c1-2-3-7-18-8-6-15-13(17)11-9-10(16)4-5-12(11)14/h2,4-5,9,16H,1,3,6-8,14H2,(H,15,17)
InChIKeyLCWUSYXKVGTNBK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.30
Rot. Bonds7

About 2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide

2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide (PubChem CID 114182874) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
PubChem CID114182874
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
SMILESC=CCCOCCNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H18N2O3/c1-2-3-7-18-8-6-15-13(17)11-9-10(16)4-5-12(11)14/h2,4-5,9,16H,1,3,6-8,14H2,(H,15,17)
InChIKeyLCWUSYXKVGTNBK-UHFFFAOYSA-N
XLogP1.30
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(2-but-3-enoxyethyl)benzamide
CID 102978755
4-bromo-N-(2-but-3-enoxyethyl)-2-hydroxybenzamide
CID 103857022
5-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391871
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391815
5-bromo-N-(2-but-3-enoxyethyl)-2-methylbenzamide
CID 103855682
4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
CID 106391867
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
CID 103890690
2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
CID 107076012
4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide
CID 103925091
2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
CID 103950989
4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
CID 103874570
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide (CID 114182874) is 2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide is C=CCCOCCNC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide?
The InChIKey is LCWUSYXKVGTNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-7-18-8-6-15-13(17)11-9-10(16)4-5-12(11)14/h2,4-5,9,16H,1,3,6-8,14H2,(H,15,17).
What are the key properties of 2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide?
2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide has a molecular weight of 250.30 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide is sourced from PubChem (CID 114182874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).