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

C19H30N2O2 — CID 119683065

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C19H30N2O2/c1-14(2)11-16-6-8-17(9-7-16)15(3)21-19(22)13-20-12-18-5-4-10-23-18/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3,(H,21,22)
InChIKeyMNWRRGRMUBVCPY-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.83
Rot. Bonds8

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

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 119683065) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID119683065
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C19H30N2O2/c1-14(2)11-16-6-8-17(9-7-16)15(3)21-19(22)13-20-12-18-5-4-10-23-18/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3,(H,21,22)
InChIKeyMNWRRGRMUBVCPY-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 78876204
N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 99715210
N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide
CID 86780191
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119699856
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119682971
2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686315
N,N-dimethyl-2-[[[1-[4-(2-methylpropyl)phenyl]ethylamino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
CID 111541986
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 55527592
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 119683065) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide is CC(C)Cc1ccc(C(C)NC(=O)CNCC2CCCO2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is MNWRRGRMUBVCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)11-16-6-8-17(9-7-16)15(3)21-19(22)13-20-12-18-5-4-10-23-18/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3,(H,21,22).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 119683065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).