N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride

C15H22ClN3O3 — CID 120782773

IUPACN-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(NC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10(19)17-12-3-2-4-13(9-12)18-15(20)14(16)11-5-7-21-8-6-11;/h2-4,9,11,14H,5-8,16H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyFHVHXMQUAYGZTM-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.76
Rot. Bonds4

About N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride

N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120782773) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120782773
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(NC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10(19)17-12-3-2-4-13(9-12)18-15(20)14(16)11-5-7-21-8-6-11;/h2-4,9,11,14H,5-8,16H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyFHVHXMQUAYGZTM-UHFFFAOYSA-N
XLogP1.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785959
2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
CID 120794168
2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786313
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120793438
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 120784582
2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride
CID 120799757

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride (CID 120782773) is N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride is CC(=O)Nc1cccc(NC(=O)C(N)C2CCOCC2)c1.Cl.
What is the InChIKey of N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is FHVHXMQUAYGZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-10(19)17-12-3-2-4-13(9-12)18-15(20)14(16)11-5-7-21-8-6-11;/h2-4,9,11,14H,5-8,16H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120782773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).