N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide

C17H26N2O2 — CID 119685898

IUPACN-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCCc1ccc(C(C)NC(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-14-6-8-15(9-7-14)13(2)19-17(20)12-18-11-16-5-4-10-21-16/h6-9,13,16,18H,3-5,10-12H2,1-2H3,(H,19,20)
InChIKeyUFKWZWPBVFILQA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds7

About N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 119685898) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID119685898
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCCc1ccc(C(C)NC(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-14-6-8-15(9-7-14)13(2)19-17(20)12-18-11-16-5-4-10-21-16/h6-9,13,16,18H,3-5,10-12H2,1-2H3,(H,19,20)
InChIKeyUFKWZWPBVFILQA-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119683065
N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 99715210
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119682971
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119699856
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 30010395
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide
CID 86780191
2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686315
(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 124835398
1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82100237
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016072

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 119685898) is N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide is CCc1ccc(C(C)NC(=O)CNCC2CCCO2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is UFKWZWPBVFILQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14-6-8-15(9-7-14)13(2)19-17(20)12-18-11-16-5-4-10-21-16/h6-9,13,16,18H,3-5,10-12H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 119685898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).