2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide

C15H21ClN2O2 — CID 63098158

IUPAC2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
SMILESCC(NCC(=O)NC1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-11(12-3-2-4-13(16)9-12)17-10-15(19)18-14-5-7-20-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19)
InChIKeyRODMCCJICZAONU-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.29
Rot. Bonds5

About 2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide

2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63098158) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
PubChem CID63098158
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
SMILESCC(NCC(=O)NC1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-11(12-3-2-4-13(16)9-12)17-10-15(19)18-14-5-7-20-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19)
InChIKeyRODMCCJICZAONU-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801
2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
CID 81361124
2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 86806189
2-[1-(4-methoxyphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 66244703
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
2-[1-(furan-2-yl)ethylamino]-N-(oxan-4-yl)acetamide
CID 55182265
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide (CID 63098158) is 2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide is CC(NCC(=O)NC1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is RODMCCJICZAONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(12-3-2-4-13(16)9-12)17-10-15(19)18-14-5-7-20-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide?
2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63098158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).