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

C19H23N3O2 — CID 926788

IUPAC1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea
SMILESCc1ccccc1NC(=O)NN=Cc1ccc(OCC(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-14(2)13-24-17-10-8-16(9-11-17)12-20-22-19(23)21-18-7-5-4-6-15(18)3/h4-12,14H,13H2,1-3H3,(H2,21,22,23)
InChIKeyLRXGXPMFIWKQNR-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.19
Rot. Bonds6

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

1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea (PubChem CID 926788) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea
PubChem CID926788
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea
SMILESCc1ccccc1NC(=O)NN=Cc1ccc(OCC(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-14(2)13-24-17-10-8-16(9-11-17)12-20-22-19(23)21-18-7-5-4-6-15(18)3/h4-12,14H,13H2,1-3H3,(H2,21,22,23)
InChIKeyLRXGXPMFIWKQNR-UHFFFAOYSA-N
XLogP4.19
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.19
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-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 3303187
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
1-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5227027
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
1-(2-methylphenyl)-3-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea
CID 4546074
N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide
CID 3371497
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
N-(2-methylphenyl)-N'-[(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4637853
N-(4-methylphenyl)-N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]butanediamide
CID 5189380
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926819

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea (CID 926788) is 1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea is Cc1ccccc1NC(=O)NN=Cc1ccc(OCC(C)C)cc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea?
The InChIKey is LRXGXPMFIWKQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(2)13-24-17-10-8-16(9-11-17)12-20-22-19(23)21-18-7-5-4-6-15(18)3/h4-12,14H,13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea?
1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea has a molecular weight of 325.41 g/mol, XLogP of 4.19, 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-(2-methylpropoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 926788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).