2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane

C20H36N2O4 — CID 157084675

IUPAC2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane
SMILESC.C.COCCOCCCCC(=O)CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C18H28N2O4.2CH4/c1-23-11-12-24-10-6-5-9-16(21)14-20-18(22)17(19)13-15-7-3-2-4-8-15;;/h2-4,7-8,17H,5-6,9-14,19H2,1H3,(H,20,22);2*1H4
InChIKeyADYLYKWNQXHSFD-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.35
Rot. Bonds13

About 2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane

2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane (PubChem CID 157084675) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane.

Molecular Properties

Compound Name2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane
PubChem CID157084675
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane
SMILESC.C.COCCOCCCCC(=O)CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C18H28N2O4.2CH4/c1-23-11-12-24-10-6-5-9-16(21)14-20-18(22)17(19)13-15-7-3-2-4-8-15;;/h2-4,7-8,17H,5-6,9-14,19H2,1H3,(H,20,22);2*1H4
InChIKeyADYLYKWNQXHSFD-UHFFFAOYSA-N
XLogP2.35
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane
CID 165007048
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
methane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethyl 3-benzyl-4-[[6-(2-methoxyethoxy)-2-oxohexyl]amino]-4-oxobutanoate
CID 157466990
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
CID 119308000
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane?
The IUPAC name of 2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane (CID 157084675) is 2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane.
What is the SMILES notation for 2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane?
The canonical SMILES for 2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane is C.C.COCCOCCCCC(=O)CNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane?
The InChIKey is ADYLYKWNQXHSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4.2CH4/c1-23-11-12-24-10-6-5-9-16(21)14-20-18(22)17(19)13-15-7-3-2-4-8-15;;/h2-4,7-8,17H,5-6,9-14,19H2,1H3,(H,20,22);2*1H4.
What are the key properties of 2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane?
2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane has a molecular weight of 368.52 g/mol, XLogP of 2.35, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane is sourced from PubChem (CID 157084675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).