N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide

C25H25FN4O3 — CID 55993066

IUPACN-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide
SMILESN#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C25H25FN4O3/c26-21-5-3-4-20(14-21)17-29(16-19-8-6-18(15-27)7-9-19)22(31)10-13-30-23(32)25(28-24(30)33)11-1-2-12-25/h3-9,14H,1-2,10-13,16-17H2,(H,28,33)
InChIKeySUSYCHYJPWOUHT-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.48
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide

N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 55993066) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID55993066
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide
SMILESN#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C25H25FN4O3/c26-21-5-3-4-20(14-21)17-29(16-19-8-6-18(15-27)7-9-19)22(31)10-13-30-23(32)25(28-24(30)33)11-1-2-12-25/h3-9,14H,1-2,10-13,16-17H2,(H,28,33)
InChIKeySUSYCHYJPWOUHT-UHFFFAOYSA-N
XLogP3.48
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-[[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
CID 47092268
N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 120649218
N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46632464
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-(3-fluorophenyl)propanamide
CID 43048068
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982460
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-ylpropanamide
CID 30100026
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 17453320
N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55810892
3-bromo-N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55993585
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 43072122
N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide
CID 18116161
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51189981

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide (CID 55993066) is N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide is N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is SUSYCHYJPWOUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c26-21-5-3-4-20(14-21)17-29(16-19-8-6-18(15-27)7-9-19)22(31)10-13-30-23(32)25(28-24(30)33)11-1-2-12-25/h3-9,14H,1-2,10-13,16-17H2,(H,28,33).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide?
N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide has a molecular weight of 448.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 55993066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).