[(Z)-1-(4-methylphenyl)dodecylideneamino]urea

C20H33N3O — CID 6056563

IUPAC[(Z)-1-(4-methylphenyl)dodecylideneamino]urea
SMILESCCCCCCCCCCC/C(=N/NC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C20H33N3O/c1-3-4-5-6-7-8-9-10-11-12-19(22-23-20(21)24)18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3,(H3,21,23,24)/b22-19-
InChIKeyKFPLQWUJGUTBJZ-QOCHGBHMSA-N
MW331.50 g/mol
LogP5.29
Rot. Bonds12

About [(Z)-1-(4-methylphenyl)dodecylideneamino]urea

[(Z)-1-(4-methylphenyl)dodecylideneamino]urea (PubChem CID 6056563) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is [(Z)-1-(4-methylphenyl)dodecylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(4-methylphenyl)dodecylideneamino]urea
PubChem CID6056563
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name[(Z)-1-(4-methylphenyl)dodecylideneamino]urea
SMILESCCCCCCCCCCC/C(=N/NC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C20H33N3O/c1-3-4-5-6-7-8-9-10-11-12-19(22-23-20(21)24)18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3,(H3,21,23,24)/b22-19-
InChIKeyKFPLQWUJGUTBJZ-QOCHGBHMSA-N
XLogP5.29
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166
[(Z)-1-(4-chlorophenyl)butylideneamino]urea
CID 8971834
N-(1-phenylpentylideneamino)octanamide
CID 4676930
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385
[[4-chloro-1-(4-methylphenyl)butylidene]amino]thiourea
CID 54127402
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
[(E)-decan-4-ylideneamino]urea
CID 121216482
[1-(4-amino-3-methylphenyl)propylideneamino]urea
CID 130155098
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-methylphenyl)dodecylideneamino]urea?
The IUPAC name of [(Z)-1-(4-methylphenyl)dodecylideneamino]urea (CID 6056563) is [(Z)-1-(4-methylphenyl)dodecylideneamino]urea.
What is the SMILES notation for [(Z)-1-(4-methylphenyl)dodecylideneamino]urea?
The canonical SMILES for [(Z)-1-(4-methylphenyl)dodecylideneamino]urea is CCCCCCCCCCC/C(=N/NC(N)=O)c1ccc(C)cc1.
What is the InChIKey of [(Z)-1-(4-methylphenyl)dodecylideneamino]urea?
The InChIKey is KFPLQWUJGUTBJZ-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-4-5-6-7-8-9-10-11-12-19(22-23-20(21)24)18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3,(H3,21,23,24)/b22-19-.
What are the key properties of [(Z)-1-(4-methylphenyl)dodecylideneamino]urea?
[(Z)-1-(4-methylphenyl)dodecylideneamino]urea has a molecular weight of 331.50 g/mol, XLogP of 5.29, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-methylphenyl)dodecylideneamino]urea is sourced from PubChem (CID 6056563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).