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

C23H32N4O4 — CID 24954882

IUPAC1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
SMILESCCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCCCC3)C1=O)CCO2
InChIInChI=1S/C23H32N4O4/c1-2-30-18-8-9-21-19(16-18)20(10-15-31-21)24-27-17-22(28)26(23(27)29)14-7-6-13-25-11-4-3-5-12-25/h8-9,16H,2-7,10-15,17H2,1H3/b24-20+
InChIKeyBPXSRCRJMMFZMM-HIXSDJFHSA-N
MW428.53 g/mol
LogP3.10
Rot. Bonds8

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

1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione (PubChem CID 24954882) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
PubChem CID24954882
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
SMILESCCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCCCC3)C1=O)CCO2
InChIInChI=1S/C23H32N4O4/c1-2-30-18-8-9-21-19(16-18)20(10-15-31-21)24-27-17-22(28)26(23(27)29)14-7-6-13-25-11-4-3-5-12-25/h8-9,16H,2-7,10-15,17H2,1H3/b24-20+
InChIKeyBPXSRCRJMMFZMM-HIXSDJFHSA-N
XLogP3.10
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.10
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-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione (CID 24954882) is 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione is CCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCCCC3)C1=O)CCO2.
What is the InChIKey of 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
The InChIKey is BPXSRCRJMMFZMM-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-2-30-18-8-9-21-19(16-18)20(10-15-31-21)24-27-17-22(28)26(23(27)29)14-7-6-13-25-11-4-3-5-12-25/h8-9,16H,2-7,10-15,17H2,1H3/b24-20+.
What are the key properties of 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione has a molecular weight of 428.53 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 24954882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).