1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea

C26H23N3O2 — CID 3303187

IUPAC1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
SMILESCc1ccccc1NC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C26H23N3O2/c1-19-7-2-5-12-25(19)28-26(30)29-27-17-20-13-15-23(16-14-20)31-18-22-10-6-9-21-8-3-4-11-24(21)22/h2-17H,18H2,1H3,(H2,28,29,30)
InChIKeyBYQOAPIJCYUVDW-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.88
Rot. Bonds6

About 1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea

1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea (PubChem CID 3303187) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
PubChem CID3303187
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
SMILESCc1ccccc1NC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C26H23N3O2/c1-19-7-2-5-12-25(19)28-26(30)29-27-17-20-13-15-23(16-14-20)31-18-22-10-6-9-21-8-3-4-11-24(21)22/h2-17H,18H2,1H3,(H2,28,29,30)
InChIKeyBYQOAPIJCYUVDW-UHFFFAOYSA-N
XLogP5.88
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
CID 4309839
1-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5227027
1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea
CID 926788
(2S)-2-hydroxy-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 126153771
1-(2-methylphenyl)-3-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea
CID 4546074
1-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-phenylthiourea
CID 56693861
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea
CID 126194341
N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660577
2-fluoro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4534177
4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 91972520
N-(2-methoxyethyl)-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8930984

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea (CID 3303187) is 1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea is Cc1ccccc1NC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
The InChIKey is BYQOAPIJCYUVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-19-7-2-5-12-25(19)28-26(30)29-27-17-20-13-15-23(16-14-20)31-18-22-10-6-9-21-8-3-4-11-24(21)22/h2-17H,18H2,1H3,(H2,28,29,30).
What are the key properties of 1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea has a molecular weight of 409.49 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 3303187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).