(Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine

C35H47F2N3O5 — CID 166086910

IUPAC(Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine
SMILESC=C(/C=C(\OC)c1ccc(F)cc1F)C(=O)NC1(CC=O)CN(C2CCC(C)(O)CC2)C1.CNC(C)(C)c1ccccc1OC
InChIInChI=1S/C24H30F2N2O4.C11H17NO/c1-16(12-21(32-3)19-5-4-17(25)13-20(19)26)22(30)27-24(10-11-29)14-28(15-24)18-6-8-23(2,31)9-7-18;1-11(2,12-3)9-7-5-6-8-10(9)13-4/h4-5,11-13,18,31H,1,6-10,14-15H2,2-3H3,(H,27,30);5-8,12H,1-4H3/b21-12-;
InChIKeyCGSMJVGIBIHIOS-SDKPGJOKSA-N
MW627.77 g/mol
LogP5.11
Rot. Bonds11

About (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine

(Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine (PubChem CID 166086910) has the molecular formula C35H47F2N3O5 and a molecular weight of 627.77 g/mol. Its IUPAC name is (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name(Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine
PubChem CID166086910
Molecular FormulaC35H47F2N3O5
Molecular Weight627.77 g/mol
Exact Mass627.35
IUPAC Name(Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine
SMILESC=C(/C=C(\OC)c1ccc(F)cc1F)C(=O)NC1(CC=O)CN(C2CCC(C)(O)CC2)C1.CNC(C)(C)c1ccccc1OC
InChIInChI=1S/C24H30F2N2O4.C11H17NO/c1-16(12-21(32-3)19-5-4-17(25)13-20(19)26)22(30)27-24(10-11-29)14-28(15-24)18-6-8-23(2,31)9-7-18;1-11(2,12-3)9-7-5-6-8-10(9)13-4/h4-5,11-13,18,31H,1,6-10,14-15H2,2-3H3,(H,27,30);5-8,12H,1-4H3/b21-12-;
InChIKeyCGSMJVGIBIHIOS-SDKPGJOKSA-N
XLogP5.11
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.77
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(2,4-difluorophenyl)-N-[1-(4-methylcyclohexyl)-3-[2-[2-(3-methylphenyl)propan-2-ylamino]prop-2-enyl]azetidin-3-yl]-2-methylidenepent-3-enamide
CID 166086715
(E)-N-[3-[2-[2-(3-chlorophenyl)propan-2-ylamino]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-4-(2,4-difluorophenyl)-2-methyl-4-methyliminobut-2-enamide;ethane
CID 166086889
(Z)-4-(2-fluoro-4-methylphenyl)-N-[1-(4-methylcyclohexyl)-3-(2-methylprop-2-enyl)azetidin-3-yl]-2-methylidene-4-methylphosphanylbut-3-enamide
CID 166086964
4-[1-[3-[(3Z)-4-(2,4-difluorophenyl)-4-(methylamino)buta-1,3-dien-2-yl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-2-methylpropan-2-yl]pyridine-2-carbonitrile;formamide
CID 166086743
5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
CID 166021587
1-[3-[2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-4-(2-fluorophenyl)-4-methylpentan-2-one
CID 167612764
N-[3-[2-[2-(3-chlorophenyl)propan-2-ylamino]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-5-(2,4-difluorophenyl)-1,3-thiazole-2-carboxamide
CID 166021611
5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
CID 166021647
1-[3-[2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-4-(4-methoxyphenyl)-4-methylpentan-2-one
CID 167628811
1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103557
6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine
CID 163540662
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone
CID 91922183

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine (CID 166086910) is (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine is C=C(/C=C(\OC)c1ccc(F)cc1F)C(=O)NC1(CC=O)CN(C2CCC(C)(O)CC2)C1.CNC(C)(C)c1ccccc1OC.
What is the InChIKey of (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is CGSMJVGIBIHIOS-SDKPGJOKSA-N. The full InChI is InChI=1S/C24H30F2N2O4.C11H17NO/c1-16(12-21(32-3)19-5-4-17(25)13-20(19)26)22(30)27-24(10-11-29)14-28(15-24)18-6-8-23(2,31)9-7-18;1-11(2,12-3)9-7-5-6-8-10(9)13-4/h4-5,11-13,18,31H,1,6-10,14-15H2,2-3H3,(H,27,30);5-8,12H,1-4H3/b21-12-;.
What are the key properties of (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine?
(Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 627.77 g/mol, XLogP of 5.11, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-(2-oxoethyl)azetidin-3-yl]-4-methoxy-2-methylidenebut-3-enamide;2-(2-methoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 166086910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).