1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea

C18H21N3O — CID 5420664

IUPAC1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
SMILESCc1ccccc1NC(=O)N/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C18H21N3O/c1-13(2)16-10-8-15(9-11-16)12-19-21-18(22)20-17-7-5-4-6-14(17)3/h4-13H,1-3H3,(H2,20,21,22)/b19-12-
InChIKeyQFUNJFYZJMZUJG-UNOMPAQXSA-N
MW295.39 g/mol
LogP4.27
Rot. Bonds4

About 1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea

1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea (PubChem CID 5420664) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
PubChem CID5420664
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
SMILESCc1ccccc1NC(=O)N/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C18H21N3O/c1-13(2)16-10-8-15(9-11-16)12-19-21-18(22)20-17-7-5-4-6-14(17)3/h4-13H,1-3H3,(H2,20,21,22)/b19-12-
InChIKeyQFUNJFYZJMZUJG-UNOMPAQXSA-N
XLogP4.27
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 3655252
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea
CID 926788
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926819
1-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822279
1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
CID 5420606
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822085
1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
CID 4309839
N-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
1-(2,3-dimethylphenyl)-3-[(4-propan-2-ylphenyl)methylideneamino]thiourea
CID 2382747

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea (CID 5420664) is 1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea is Cc1ccccc1NC(=O)N/N=C\c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea?
The InChIKey is QFUNJFYZJMZUJG-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)16-10-8-15(9-11-16)12-19-21-18(22)20-17-7-5-4-6-14(17)3/h4-13H,1-3H3,(H2,20,21,22)/b19-12-.
What are the key properties of 1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea?
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea has a molecular weight of 295.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea is sourced from PubChem (CID 5420664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).