2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide

C11H21N3O3 — CID 113219588

IUPAC2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC(=O)NCCOC
InChIInChI=1S/C11H21N3O3/c1-4-5-13-11(16)9(2)14-8-10(15)12-6-7-17-3/h4,9,14H,1,5-8H2,2-3H3,(H,12,15)(H,13,16)
InChIKeyQOQKQULYWXMTEP-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.97
Rot. Bonds9

About 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide

2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide (PubChem CID 113219588) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
PubChem CID113219588
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC(=O)NCCOC
InChIInChI=1S/C11H21N3O3/c1-4-5-13-11(16)9(2)14-8-10(15)12-6-7-17-3/h4,9,14H,1,5-8H2,2-3H3,(H,12,15)(H,13,16)
InChIKeyQOQKQULYWXMTEP-UHFFFAOYSA-N
XLogP-0.97
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407011
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 115574236
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide
CID 114164663
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 60811246
(2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 83194745
2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide
CID 107899218
2-(2-methoxypropylamino)-N-prop-2-enylpropanamide
CID 102697960
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407019
(Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid
CID 103262873
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516
2-(1-methoxypropan-2-ylamino)-N-propylacetamide
CID 43179596

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide (CID 113219588) is 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCC(=O)NCCOC.
What is the InChIKey of 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide?
The InChIKey is QOQKQULYWXMTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-4-5-13-11(16)9(2)14-8-10(15)12-6-7-17-3/h4,9,14H,1,5-8H2,2-3H3,(H,12,15)(H,13,16).
What are the key properties of 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide?
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide has a molecular weight of 243.31 g/mol, XLogP of -0.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 113219588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).