N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide

C17H25ClN2O2 — CID 86825178

IUPACN-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
SMILESCC(NC(=O)CN(C)CC1CCCCO1)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O2/c1-13(15-8-3-4-9-16(15)18)19-17(21)12-20(2)11-14-7-5-6-10-22-14/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,19,21)
InChIKeyGSTISXQMLTURDS-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.02
Rot. Bonds6

About N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide

N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide (PubChem CID 86825178) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
PubChem CID86825178
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
SMILESCC(NC(=O)CN(C)CC1CCCCO1)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O2/c1-13(15-8-3-4-9-16(15)18)19-17(21)12-20(2)11-14-7-5-6-10-22-14/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,19,21)
InChIKeyGSTISXQMLTURDS-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110037839
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 39973443
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912445
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030
1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea
CID 86826830
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95611859
N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762
2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 86825120
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62630443
N-[1-(2-chlorophenyl)ethyl]-2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51141549

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide (CID 86825178) is N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide is CC(NC(=O)CN(C)CC1CCCCO1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The InChIKey is GSTISXQMLTURDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(15-8-3-4-9-16(15)18)19-17(21)12-20(2)11-14-7-5-6-10-22-14/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide has a molecular weight of 324.85 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 86825178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).