1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea

C17H18N4O3 — CID 5414266

IUPAC1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cccc(/C=N\NC(=O)N/N=C\c2cccc(OC)c2)c1
InChIInChI=1S/C17H18N4O3/c1-23-15-7-3-5-13(9-15)11-18-20-17(22)21-19-12-14-6-4-8-16(10-14)24-2/h3-12H,1-2H3,(H2,20,21,22)/b18-11-,19-12-
InChIKeyYHNYTQRIPAKVJC-ZAORYEFMSA-N
MW326.36 g/mol
LogP2.37
Rot. Bonds6

About 1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea

1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea (PubChem CID 5414266) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
PubChem CID5414266
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cccc(/C=N\NC(=O)N/N=C\c2cccc(OC)c2)c1
InChIInChI=1S/C17H18N4O3/c1-23-15-7-3-5-13(9-15)11-18-20-17(22)21-19-12-14-6-4-8-16(10-14)24-2/h3-12H,1-2H3,(H2,20,21,22)/b18-11-,19-12-
InChIKeyYHNYTQRIPAKVJC-ZAORYEFMSA-N
XLogP2.37
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551
1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine
CID 166950258
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 2244283
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea (CID 5414266) is 1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea is COc1cccc(/C=N\NC(=O)N/N=C\c2cccc(OC)c2)c1.
What is the InChIKey of 1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea?
The InChIKey is YHNYTQRIPAKVJC-ZAORYEFMSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-15-7-3-5-13(9-15)11-18-20-17(22)21-19-12-14-6-4-8-16(10-14)24-2/h3-12H,1-2H3,(H2,20,21,22)/b18-11-,19-12-.
What are the key properties of 1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea?
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea has a molecular weight of 326.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 5414266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).