N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride

C18H23ClN2O — CID 119422754

IUPACN-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride
SMILESCCCCc1ccc(CC(=O)Nc2ccccc2N)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-2-3-6-14-9-11-15(12-10-14)13-18(21)20-17-8-5-4-7-16(17)19;/h4-5,7-12H,2-3,6,13,19H2,1H3,(H,20,21);1H
InChIKeyQONPPMPTFACNFS-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.21
Rot. Bonds6

About N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride

N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride (PubChem CID 119422754) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride
PubChem CID119422754
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC NameN-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride
SMILESCCCCc1ccc(CC(=O)Nc2ccccc2N)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-2-3-6-14-9-11-15(12-10-14)13-18(21)20-17-8-5-4-7-16(17)19;/h4-5,7-12H,2-3,6,13,19H2,1H3,(H,20,21);1H
InChIKeyQONPPMPTFACNFS-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110178593
N-(2-aminophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866981
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114868
N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
CID 134533298
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 46450100
N-(2-aminophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045267
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119421936
2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
3-[[2-[4-(4-butylphenyl)phenyl]acetyl]amino]naphthalene-2-carboxylic acid
CID 146620058

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride (CID 119422754) is N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride is CCCCc1ccc(CC(=O)Nc2ccccc2N)cc1.Cl.
What is the InChIKey of N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride?
The InChIKey is QONPPMPTFACNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-2-3-6-14-9-11-15(12-10-14)13-18(21)20-17-8-5-4-7-16(17)19;/h4-5,7-12H,2-3,6,13,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride?
N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119422754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).