1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea

C22H21N3O2 — CID 4309839

IUPAC1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
SMILESCc1ccccc1NC(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c1-17-7-5-6-10-21(17)24-22(26)25-23-15-18-11-13-20(14-12-18)27-16-19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H2,24,25,26)
InChIKeyVSQSSVIQDAQFLI-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.73
Rot. Bonds6

About 1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea

1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea (PubChem CID 4309839) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
PubChem CID4309839
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
SMILESCc1ccccc1NC(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c1-17-7-5-6-10-21(17)24-22(26)25-23-15-18-11-13-20(14-12-18)27-16-19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H2,24,25,26)
InChIKeyVSQSSVIQDAQFLI-UHFFFAOYSA-N
XLogP4.73
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.73
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-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5227027
1-(2-methylphenyl)-3-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea
CID 4546074
1-(2-methylphenyl)-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7933527
1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 3303187
1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea
CID 926788
1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 110532874
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 4107522
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6176038
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-(2,3-dimethylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4024550

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea (CID 4309839) is 1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea is Cc1ccccc1NC(=O)NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea?
The InChIKey is VSQSSVIQDAQFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-17-7-5-6-10-21(17)24-22(26)25-23-15-18-11-13-20(14-12-18)27-16-19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H2,24,25,26).
What are the key properties of 1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea?
1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea has a molecular weight of 359.43 g/mol, XLogP of 4.73, 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-phenylmethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 4309839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).