1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione

C23H35FN4O3 — CID 142399677

IUPAC1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
SMILESCC(C)C(NNCCCCCN1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H35FN4O3/c1-16(2)22(18-8-9-19(24)20(14-18)31-15-17-6-7-17)27-25-11-4-3-5-12-28-13-10-21(29)26-23(28)30/h8-9,14,16-17,22,25,27H,3-7,10-13,15H2,1-2H3,(H,26,29,30)
InChIKeyKAJISULSDFGIGY-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.52
Rot. Bonds13

About 1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione

1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione (PubChem CID 142399677) has the molecular formula C23H35FN4O3 and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
PubChem CID142399677
Molecular FormulaC23H35FN4O3
Molecular Weight434.56 g/mol
Exact Mass434.27
IUPAC Name1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
SMILESCC(C)C(NNCCCCCN1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H35FN4O3/c1-16(2)22(18-8-9-19(24)20(14-18)31-15-17-6-7-17)27-25-11-4-3-5-12-28-13-10-21(29)26-23(28)30/h8-9,14,16-17,22,25,27H,3-7,10-13,15H2,1-2H3,(H,26,29,30)
InChIKeyKAJISULSDFGIGY-UHFFFAOYSA-N
XLogP3.52
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360249
5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine
CID 142361186
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360570
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide
CID 142360453
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360581
1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360872
1-[5-[[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]piperidin-4-yl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione
CID 148703452
1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
CID 142360603
N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxo-1,3-diazinan-1-yl)pentane-1-sulfonamide
CID 135378815
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
2-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfamoyl]pentylamino]acetic acid
CID 135186512

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione (CID 142399677) is 1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione is CC(C)C(NNCCCCCN1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione?
The InChIKey is KAJISULSDFGIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN4O3/c1-16(2)22(18-8-9-19(24)20(14-18)31-15-17-6-7-17)27-25-11-4-3-5-12-28-13-10-21(29)26-23(28)30/h8-9,14,16-17,22,25,27H,3-7,10-13,15H2,1-2H3,(H,26,29,30).
What are the key properties of 1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione?
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione has a molecular weight of 434.56 g/mol, XLogP of 3.52, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 142399677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).