N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C30H25ClN6O4 — CID 135487585

IUPACN-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(C)nc(/N=C(\NC(=O)CN2C(=O)c3ccccc3C2=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C30H25ClN6O4/c1-18-15-19(2)33-29(32-18)36-30(35-26(38)16-37-27(39)24-5-3-4-6-25(24)28(37)40)34-22-11-13-23(14-12-22)41-17-20-7-9-21(31)10-8-20/h3-15H,16-17H2,1-2H3,(H2,32,33,34,35,36,38)
InChIKeyYZPOABUDASZZRY-UHFFFAOYSA-N
MW569.02 g/mol
LogP4.84
Rot. Bonds7

About N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 135487585) has the molecular formula C30H25ClN6O4 and a molecular weight of 569.02 g/mol. Its IUPAC name is N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID135487585
Molecular FormulaC30H25ClN6O4
Molecular Weight569.02 g/mol
Exact Mass568.16
IUPAC NameN-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(C)nc(/N=C(\NC(=O)CN2C(=O)c3ccccc3C2=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C30H25ClN6O4/c1-18-15-19(2)33-29(32-18)36-30(35-26(38)16-37-27(39)24-5-3-4-6-25(24)28(37)40)34-22-11-13-23(14-12-22)41-17-20-7-9-21(31)10-8-20/h3-15H,16-17H2,1-2H3,(H2,32,33,34,35,36,38)
InChIKeyYZPOABUDASZZRY-UHFFFAOYSA-N
XLogP4.84
TPSA125.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.02
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide 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

1-(3-chlorophenyl)-3-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]urea
CID 135512957
(2S)-N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)carbamimidoyl]-2-phenylbutanamide
CID 135960927
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
1-(3-chlorophenyl)-3-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)carbamimidoyl]urea
CID 135422702
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 17492143
N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-pentoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide
CID 135516398
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46356625
N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
CID 108941522
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(N-methylanilino)acetamide
CID 109007233
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764948
1-(3,4-dichlorophenyl)-3-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)carbamimidoyl]urea
CID 135500429
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39059348

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 135487585) is N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1cc(C)nc(/N=C(\NC(=O)CN2C(=O)c3ccccc3C2=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is YZPOABUDASZZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN6O4/c1-18-15-19(2)33-29(32-18)36-30(35-26(38)16-37-27(39)24-5-3-4-6-25(24)28(37)40)34-22-11-13-23(14-12-22)41-17-20-7-9-21(31)10-8-20/h3-15H,16-17H2,1-2H3,(H2,32,33,34,35,36,38).
What are the key properties of N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 569.02 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 135487585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).