N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride

C13H19ClN2O2 — CID 119422818

IUPACN-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride
SMILESC=CCCOC(C)C(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-3-4-9-17-10(2)13(16)15-12-8-6-5-7-11(12)14;/h3,5-8,10H,1,4,9,14H2,2H3,(H,15,16);1H
InChIKeyODPIYSOOPFLFLT-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.61
Rot. Bonds6

About N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride

N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride (PubChem CID 119422818) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride
PubChem CID119422818
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride
SMILESC=CCCOC(C)C(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-3-4-9-17-10(2)13(16)15-12-8-6-5-7-11(12)14;/h3,5-8,10H,1,4,9,14H2,2H3,(H,15,16);1H
InChIKeyODPIYSOOPFLFLT-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
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(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
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N-[4-[[(2R)-2-but-3-enoxypropanoyl]amino]phenyl]-3-methylbutanamide
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2-[2-(2-butoxypropanoylamino)phenyl]acetic acid
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2-methylpropyl N-(2-aminophenyl)carbamate
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N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride
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2-[2-(2-aminophenyl)ethoxy]-N-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride (CID 119422818) is N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride is C=CCCOC(C)C(=O)Nc1ccccc1N.Cl.
What is the InChIKey of N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride?
The InChIKey is ODPIYSOOPFLFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-3-4-9-17-10(2)13(16)15-12-8-6-5-7-11(12)14;/h3,5-8,10H,1,4,9,14H2,2H3,(H,15,16);1H.
What are the key properties of N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride?
N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride is sourced from PubChem (CID 119422818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).