1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione

C18H34N6O4 — CID 142360233

IUPAC1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
SMILESC=N/C=C(\NCCOCCOC)C(C)NNCCCCCN1CC(=O)NC1=O
InChIInChI=1S/C18H34N6O4/c1-15(16(13-19-2)20-8-10-28-12-11-27-3)23-21-7-5-4-6-9-24-14-17(25)22-18(24)26/h13,15,20-21,23H,2,4-12,14H2,1,3H3,(H,22,25,26)/b16-13-
InChIKeyIPIJCNDIVRZGLV-SSZFMOIBSA-N
MW398.51 g/mol
LogP-0.01
Rot. Bonds17

About 1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione

1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione (PubChem CID 142360233) has the molecular formula C18H34N6O4 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
PubChem CID142360233
Molecular FormulaC18H34N6O4
Molecular Weight398.51 g/mol
Exact Mass398.26
IUPAC Name1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
SMILESC=N/C=C(\NCCOCCOC)C(C)NNCCCCCN1CC(=O)NC1=O
InChIInChI=1S/C18H34N6O4/c1-15(16(13-19-2)20-8-10-28-12-11-27-3)23-21-7-5-4-6-9-24-14-17(25)22-18(24)26/h13,15,20-21,23H,2,4-12,14H2,1,3H3,(H,22,25,26)/b16-13-
InChIKeyIPIJCNDIVRZGLV-SSZFMOIBSA-N
XLogP-0.01
TPSA116.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazolidine-2,4-dione
CID 113427526
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102
1-(2-propoxyethyl)imidazolidine-2,4-dione
CID 106458141
1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 159929213
1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
CID 142360603
1-(3-chloropropyl)imidazolidine-2,4-dione
CID 118050354
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
CID 62726665
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione (CID 142360233) is 1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione is C=N/C=C(\NCCOCCOC)C(C)NNCCCCCN1CC(=O)NC1=O.
What is the InChIKey of 1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
The InChIKey is IPIJCNDIVRZGLV-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H34N6O4/c1-15(16(13-19-2)20-8-10-28-12-11-27-3)23-21-7-5-4-6-9-24-14-17(25)22-18(24)26/h13,15,20-21,23H,2,4-12,14H2,1,3H3,(H,22,25,26)/b16-13-.
What are the key properties of 1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione has a molecular weight of 398.51 g/mol, XLogP of -0.01, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(Z)-3-[2-(2-methoxyethoxy)ethylamino]-4-(methylideneamino)but-3-en-2-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 142360233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).