1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione

C22H30N4O4 — CID 24954150

IUPAC1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCCCC3)C1=O)CCO2
InChIInChI=1S/C22H30N4O4/c1-29-17-7-8-20-18(15-17)19(9-14-30-20)23-26-16-21(27)25(22(26)28)13-6-5-12-24-10-3-2-4-11-24/h7-8,15H,2-6,9-14,16H2,1H3/b23-19+
InChIKeyBLMAEUFVWGPBQK-FCDQGJHFSA-N
MW414.51 g/mol
LogP2.71
Rot. Bonds7

About 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione

1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione (PubChem CID 24954150) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
PubChem CID24954150
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCCCC3)C1=O)CCO2
InChIInChI=1S/C22H30N4O4/c1-29-17-7-8-20-18(15-17)19(9-14-30-20)23-26-16-21(27)25(22(26)28)13-6-5-12-24-10-3-2-4-11-24/h7-8,15H,2-6,9-14,16H2,1H3/b23-19+
InChIKeyBLMAEUFVWGPBQK-FCDQGJHFSA-N
XLogP2.71
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione (CID 24954150) is 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione is COc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCCCC3)C1=O)CCO2.
What is the InChIKey of 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
The InChIKey is BLMAEUFVWGPBQK-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-29-17-7-8-20-18(15-17)19(9-14-30-20)23-26-16-21(27)25(22(26)28)13-6-5-12-24-10-3-2-4-11-24/h7-8,15H,2-6,9-14,16H2,1H3/b23-19+.
What are the key properties of 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione has a molecular weight of 414.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 24954150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).