N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene

C20H27N3O4 — CID 155734100

IUPACN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene
SMILESC=C/C=C\C(C)=C/C.COc1ccc(C(=O)NCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C12H15N3O4.C8H12/c1-19-9-4-2-8(3-5-9)12(18)15-7-11(17)14-6-10(13)16;1-4-6-7-8(3)5-2/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,17)(H,15,18);4-7H,1H2,2-3H3/b;7-6-,8-5-
InChIKeyUIFDURILOXLLQH-JLMZEHOHSA-N
MW373.45 g/mol
LogP1.72
Rot. Bonds8

About N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene

N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene (PubChem CID 155734100) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound NameN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene
PubChem CID155734100
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene
SMILESC=C/C=C\C(C)=C/C.COc1ccc(C(=O)NCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C12H15N3O4.C8H12/c1-19-9-4-2-8(3-5-9)12(18)15-7-11(17)14-6-10(13)16;1-4-6-7-8(3)5-2/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,17)(H,15,18);4-7H,1H2,2-3H3/b;7-6-,8-5-
InChIKeyUIFDURILOXLLQH-JLMZEHOHSA-N
XLogP1.72
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.72
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

N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 71129478
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide
CID 120829043
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
4-methoxy-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzamide
CID 4628077
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane
CID 178010444
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
N-(2-amino-2-oxoethyl)-4-[[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111182990
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 35018344

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene?
The IUPAC name of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene (CID 155734100) is N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene.
What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene?
The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene is C=C/C=C\C(C)=C/C.COc1ccc(C(=O)NCC(=O)NCC(N)=O)cc1.
What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene?
The InChIKey is UIFDURILOXLLQH-JLMZEHOHSA-N. The full InChI is InChI=1S/C12H15N3O4.C8H12/c1-19-9-4-2-8(3-5-9)12(18)15-7-11(17)14-6-10(13)16;1-4-6-7-8(3)5-2/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,17)(H,15,18);4-7H,1H2,2-3H3/b;7-6-,8-5-.
What are the key properties of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene?
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene has a molecular weight of 373.45 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-methoxybenzamide;(3Z,5Z)-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 155734100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).