1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea

C17H19N3O — CID 5411019

IUPAC1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea
SMILESCC(C)/C(=N\NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-13(2)16(14-9-5-3-6-10-14)19-20-17(21)18-15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,18,20,21)/b19-16+
InChIKeyDRIXUDKWBWZWDT-KNTRCKAVSA-N
MW281.36 g/mol
LogP3.87
Rot. Bonds4

About 1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea

1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea (PubChem CID 5411019) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea
PubChem CID5411019
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea
SMILESCC(C)/C(=N\NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-13(2)16(14-9-5-3-6-10-14)19-20-17(21)18-15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,18,20,21)/b19-16+
InChIKeyDRIXUDKWBWZWDT-KNTRCKAVSA-N
XLogP3.87
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.87
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

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CID 63430
Diacetyldiphenylurea bisguanylhydrazone
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CID 9573423
1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
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1-(m-Tolyl)-3-(1-phenylpropylideneamino)thiourea
CID 5331621
1-[(E)-4-methylpentan-2-ylideneamino]-3-phenylurea
CID 5718782
3-pentyl-4-phenyl-N-(2-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 49865618
1-[(E)-1-(4-methylphenyl)propylideneamino]-3-phenylthiourea
CID 53358421
1-(Cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea
CID 578299
1-Phenylethanone N-phenylsemicarbazone
CID 9584792
1,2-Dihydro-2,5-(diphenyl)-3H-1,2,4-triazol-3-one
CID 135538597
1-(3-aminophenyl)ethanone N-(3-methylphenyl)thiosemicarbazone
CID 5390202

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea?
The IUPAC name of 1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea (CID 5411019) is 1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea?
The canonical SMILES for 1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea is CC(C)/C(=N\NC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea?
The InChIKey is DRIXUDKWBWZWDT-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(2)16(14-9-5-3-6-10-14)19-20-17(21)18-15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,18,20,21)/b19-16+.
What are the key properties of 1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea?
1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea has a molecular weight of 281.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-methyl-1-phenylpropylidene)amino]-3-phenylurea is sourced from PubChem (CID 5411019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).