2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C15H22Cl2N2O2 — CID 120784239

IUPAC2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCCc1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H21ClN2O2.ClH/c16-13-3-1-2-11(10-13)4-7-18-15(19)14(17)12-5-8-20-9-6-12;/h1-3,10,12,14H,4-9,17H2,(H,18,19);1H
InChIKeyCBBUXWYDCIFWDI-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.17
Rot. Bonds5

About 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120784239) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120784239
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCCc1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H21ClN2O2.ClH/c16-13-3-1-2-11(10-13)4-7-18-15(19)14(17)12-5-8-20-9-6-12;/h1-3,10,12,14H,4-9,17H2,(H,18,19);1H
InChIKeyCBBUXWYDCIFWDI-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787345
2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide
CID 120785640
2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120794628
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 110416576
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571
2-amino-N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792081

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120784239) is 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCCc1cccc(Cl)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is CBBUXWYDCIFWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c16-13-3-1-2-11(10-13)4-7-18-15(19)14(17)12-5-8-20-9-6-12;/h1-3,10,12,14H,4-9,17H2,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120784239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).