2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene

C14H23N3O3 — CID 168969104

IUPAC2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene
SMILESC=C/C=C(/C)C=C.CC(=O)CNC(=O)CNC(=O)CN
InChIInChI=1S/C7H13N3O3.C7H10/c1-5(11)3-9-7(13)4-10-6(12)2-8;1-4-6-7(3)5-2/h2-4,8H2,1H3,(H,9,13)(H,10,12);4-6H,1-2H2,3H3/b;7-6-
InChIKeyXAYKIDGYRWXTAU-VDXOJYAPSA-N
MW281.36 g/mol
LogP0.07
Rot. Bonds7

About 2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene

2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene (PubChem CID 168969104) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene
PubChem CID168969104
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene
SMILESC=C/C=C(/C)C=C.CC(=O)CNC(=O)CNC(=O)CN
InChIInChI=1S/C7H13N3O3.C7H10/c1-5(11)3-9-7(13)4-10-6(12)2-8;1-4-6-7(3)5-2/h2-4,8H2,1H3,(H,9,13)(H,10,12);4-6H,1-2H2,3H3/b;7-6-
InChIKeyXAYKIDGYRWXTAU-VDXOJYAPSA-N
XLogP0.07
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[[2-[[2-[[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 121440614
2-amino-N-(2-oxobut-3-enyl)acetamide
CID 142697377
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
2-amino-N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]acetamide
CID 122707091
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide
CID 134534499
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
CID 170359660
2-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]acetamide
CID 83111303
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
N-(2-oxopropyl)propanamide
CID 23550155
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene?
The IUPAC name of 2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene (CID 168969104) is 2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene?
The canonical SMILES for 2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene is C=C/C=C(/C)C=C.CC(=O)CNC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene?
The InChIKey is XAYKIDGYRWXTAU-VDXOJYAPSA-N. The full InChI is InChI=1S/C7H13N3O3.C7H10/c1-5(11)3-9-7(13)4-10-6(12)2-8;1-4-6-7(3)5-2/h2-4,8H2,1H3,(H,9,13)(H,10,12);4-6H,1-2H2,3H3/b;7-6-.
What are the key properties of 2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene?
2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene has a molecular weight of 281.36 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide;(3Z)-3-methylhexa-1,3,5-triene is sourced from PubChem (CID 168969104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).