N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide

C23H24N4O4 — CID 110525489

IUPACN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(=O)[nH]2)ccc1OC(C)C
InChIInChI=1S/C23H24N4O4/c1-4-30-21-12-16(10-11-20(21)31-15(2)3)14-24-27-22(28)19-13-18(25-23(29)26-19)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,27,28)(H,25,26,29)/b24-14+
InChIKeyDZQMXNNWDYHGFN-ZVHZXABRSA-N
MW420.47 g/mol
LogP3.39
Rot. Bonds8

About N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide

N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide (PubChem CID 110525489) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
PubChem CID110525489
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(=O)[nH]2)ccc1OC(C)C
InChIInChI=1S/C23H24N4O4/c1-4-30-21-12-16(10-11-20(21)31-15(2)3)14-24-27-22(28)19-13-18(25-23(29)26-19)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,27,28)(H,25,26,29)/b24-14+
InChIKeyDZQMXNNWDYHGFN-ZVHZXABRSA-N
XLogP3.39
TPSA105.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
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-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110525461
N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110525561
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 136874839
4-(4-fluorophenyl)-2-oxo-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]-1H-pyrimidine-6-carboxamide
CID 110525809
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135581297
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 112537989
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277479
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576876
3-[(2E)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136789042
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538029
N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110525482
N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide
CID 110506843

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide (CID 110525489) is N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide is CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(=O)[nH]2)ccc1OC(C)C.
What is the InChIKey of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide?
The InChIKey is DZQMXNNWDYHGFN-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-4-30-21-12-16(10-11-20(21)31-15(2)3)14-24-27-22(28)19-13-18(25-23(29)26-19)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,27,28)(H,25,26,29)/b24-14+.
What are the key properties of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide?
N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110525489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).