N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C17H29ClN2O2 — CID 119671524

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1c(C(C)C)cccc1C(C)C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-12(2)14-7-6-8-15(13(3)4)17(14)19-16(20)11-18-9-10-21-5;/h6-8,12-13,18H,9-11H2,1-5H3,(H,19,20);1H
InChIKeyJDPZCJUPDGIGLU-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.53
Rot. Bonds8

About N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119671524) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119671524
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1c(C(C)C)cccc1C(C)C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-12(2)14-7-6-8-15(13(3)4)17(14)19-16(20)11-18-9-10-21-5;/h6-8,12-13,18H,9-11H2,1-5H3,(H,19,20);1H
InChIKeyJDPZCJUPDGIGLU-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000966
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
2-[bis(2-methoxyethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 33483708
2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119782792
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
2-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763
2-(2-methoxyethylamino)-N-[3-(1-methoxyethyl)phenyl]acetamide;hydrochloride
CID 119768563
2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 97260970
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119671524) is N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1c(C(C)C)cccc1C(C)C.Cl.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is JDPZCJUPDGIGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-12(2)14-7-6-8-15(13(3)4)17(14)19-16(20)11-18-9-10-21-5;/h6-8,12-13,18H,9-11H2,1-5H3,(H,19,20);1H.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119671524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).