2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride

C15H23ClN2O2 — CID 119801734

IUPAC2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)Cc1ccc(N)cc1)C1CCOCC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(13-6-8-19-9-7-13)17-15(18)10-12-2-4-14(16)5-3-12;/h2-5,11,13H,6-10,16H2,1H3,(H,17,18);1H
InChIKeyPHVTUDWYEIVKQD-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride (PubChem CID 119801734) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
PubChem CID119801734
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)Cc1ccc(N)cc1)C1CCOCC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(13-6-8-19-9-7-13)17-15(18)10-12-2-4-14(16)5-3-12;/h2-5,11,13H,6-10,16H2,1H3,(H,17,18);1H
InChIKeyPHVTUDWYEIVKQD-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride
CID 119809026
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
4-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797662
[2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate
CID 63098891
N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77020413
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
6-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]hexanamide
CID 114115149
4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide
CID 103768922

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride (CID 119801734) is 2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride is CC(NC(=O)Cc1ccc(N)cc1)C1CCOCC1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride?
The InChIKey is PHVTUDWYEIVKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11(13-6-8-19-9-7-13)17-15(18)10-12-2-4-14(16)5-3-12;/h2-5,11,13H,6-10,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119801734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).