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

C15H21ClN2O2 — CID 120784240

IUPAC2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCCc1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H21ClN2O2/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)
InChIKeyRQCGCHHGGIEXSQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.75
Rot. Bonds5

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

2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 120784240) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
PubChem CID120784240
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCCc1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H21ClN2O2/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)
InChIKeyRQCGCHHGGIEXSQ-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.75
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;hydrochloride
CID 120784239
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-[(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
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 110416576
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787345
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
2-amino-N-[2-(2,3-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120793248
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide (CID 120784240) is 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCCc1cccc(Cl)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is RQCGCHHGGIEXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/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).
What are the key properties of 2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 296.80 g/mol, XLogP of 1.75, 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 is sourced from PubChem (CID 120784240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).