2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane

C23H38N4O2 — CID 145087367

IUPAC2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane
SMILESC=C/C=C\C(=C/C)CNC(=O)CN(N)C(=O)C(=C/C=C)/C(N)=C\C=C.CC.CC
InChIInChI=1S/C19H26N4O2.2C2H6/c1-5-9-12-15(8-4)13-22-18(24)14-23(21)19(25)16(10-6-2)17(20)11-7-3;2*1-2/h5-12H,1-3,13-14,20-21H2,4H3,(H,22,24);2*1-2H3/b12-9-,15-8+,16-10+,17-11+;;
InChIKeyZAFYSANXWFKNQE-AKJMKFJPSA-N
MW402.58 g/mol
LogP3.69
Rot. Bonds10

About 2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane

2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane (PubChem CID 145087367) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is 2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane.

Molecular Properties

Compound Name2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane
PubChem CID145087367
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC Name2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane
SMILESC=C/C=C\C(=C/C)CNC(=O)CN(N)C(=O)C(=C/C=C)/C(N)=C\C=C.CC.CC
InChIInChI=1S/C19H26N4O2.2C2H6/c1-5-9-12-15(8-4)13-22-18(24)14-23(21)19(25)16(10-6-2)17(20)11-7-3;2*1-2/h5-12H,1-3,13-14,20-21H2,4H3,(H,22,24);2*1-2H3/b12-9-,15-8+,16-10+,17-11+;;
InChIKeyZAFYSANXWFKNQE-AKJMKFJPSA-N
XLogP3.69
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
CID 167457562
(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 146639818
(2E,3E)-3-amino-N-methyl-2-propylidenehexa-3,5-dienehydrazide;ethane
CID 167508056
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
ethane;(4Z,5Z)-4-ethylidene-2-oxoocta-5,7-dienoic acid
CID 143265968
(3E,4E)-4-amino-1-chloro-3-prop-2-enylidenehepta-4,6-dien-2-one
CID 135141230
(2E,3E)-3-amino-N-methyl-2-propylidenehexa-3,5-dienehydrazide
CID 167508057
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
CID 144567839
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane?
The IUPAC name of 2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane (CID 145087367) is 2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane.
What is the SMILES notation for 2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane?
The canonical SMILES for 2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane is C=C/C=C\C(=C/C)CNC(=O)CN(N)C(=O)C(=C/C=C)/C(N)=C\C=C.CC.CC.
What is the InChIKey of 2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane?
The InChIKey is ZAFYSANXWFKNQE-AKJMKFJPSA-N. The full InChI is InChI=1S/C19H26N4O2.2C2H6/c1-5-9-12-15(8-4)13-22-18(24)14-23(21)19(25)16(10-6-2)17(20)11-7-3;2*1-2/h5-12H,1-3,13-14,20-21H2,4H3,(H,22,24);2*1-2H3/b12-9-,15-8+,16-10+,17-11+;;.
What are the key properties of 2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane?
2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane has a molecular weight of 402.58 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane is sourced from PubChem (CID 145087367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).