N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide

C15H21ClN2O2 — CID 108994281

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCO1)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c16-13-4-1-3-12(9-13)6-7-18-15(19)11-17-10-14-5-2-8-20-14/h1,3-4,9,14,17H,2,5-8,10-11H2,(H,18,19)
InChIKeySCLTWVZPTSRVDR-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 108994281) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID108994281
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCO1)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c16-13-4-1-3-12(9-13)6-7-18-15(19)11-17-10-14-5-2-8-20-14/h1,3-4,9,14,17H,2,5-8,10-11H2,(H,18,19)
InChIKeySCLTWVZPTSRVDR-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(3-chlorophenyl)ethyl]-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146941
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674688
3-[[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 111358759
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 125146148
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 108994371
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone
CID 108994268

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 108994281) is N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide is O=C(CNCC1CCCO1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is SCLTWVZPTSRVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-13-4-1-3-12(9-13)6-7-18-15(19)11-17-10-14-5-2-8-20-14/h1,3-4,9,14,17H,2,5-8,10-11H2,(H,18,19).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 296.80 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 108994281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).