N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C22H22N4O5 — CID 110526129

IUPACN-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1
InChIInChI=1S/C22H22N4O5/c1-14-17(21(28)25-22(29)24-14)11-20(27)26-23-12-16-8-9-18(19(10-16)30-2)31-13-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3,(H,26,27)(H2,24,25,28,29)/b23-12-
InChIKeyCNHUEJRYDMILLH-FMCGGJTJSA-N
MW422.44 g/mol
LogP1.65
Rot. Bonds8

About N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 110526129) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID110526129
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC NameN-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1
InChIInChI=1S/C22H22N4O5/c1-14-17(21(28)25-22(29)24-14)11-20(27)26-23-12-16-8-9-18(19(10-16)30-2)31-13-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3,(H,26,27)(H2,24,25,28,29)/b23-12-
InChIKeyCNHUEJRYDMILLH-FMCGGJTJSA-N
XLogP1.65
TPSA125.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526131
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3627606
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
2-(2,6-dimethylanilino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3726528
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3499403
N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 124541148
2-(4-fluorophenyl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126229463
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296
2-(benzenesulfonamido)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92534256
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526228

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 110526129) is N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is COc1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1.
What is the InChIKey of N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is CNHUEJRYDMILLH-FMCGGJTJSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-14-17(21(28)25-22(29)24-14)11-20(27)26-23-12-16-8-9-18(19(10-16)30-2)31-13-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3,(H,26,27)(H2,24,25,28,29)/b23-12-.
What are the key properties of N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 422.44 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 110526129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).