1,3-bis(cinnamylideneamino)urea

C19H18N4O — CID 2823909

IUPAC1,3-bis(cinnamylideneamino)urea
SMILESO=C(NN=CC=Cc1ccccc1)NN=CC=Cc1ccccc1
InChIInChI=1S/C19H18N4O/c24-19(22-20-15-7-13-17-9-3-1-4-10-17)23-21-16-8-14-18-11-5-2-6-12-18/h1-16H,(H2,22,23,24)
InChIKeyOZCTVSCDEUZKBH-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.68
Rot. Bonds6

About 1,3-bis(cinnamylideneamino)urea

1,3-bis(cinnamylideneamino)urea (PubChem CID 2823909) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1,3-bis(cinnamylideneamino)urea.

Molecular Properties

Compound Name1,3-bis(cinnamylideneamino)urea
PubChem CID2823909
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1,3-bis(cinnamylideneamino)urea
SMILESO=C(NN=CC=Cc1ccccc1)NN=CC=Cc1ccccc1
InChIInChI=1S/C19H18N4O/c24-19(22-20-15-7-13-17-9-3-1-4-10-17)23-21-16-8-14-18-11-5-2-6-12-18/h1-16H,(H2,22,23,24)
InChIKeyOZCTVSCDEUZKBH-UHFFFAOYSA-N
XLogP3.68
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.68
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-[(E)-cinnamylideneamino]-3-methylurea
CID 167350066
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270
N-(cinnamylideneamino)-2-iodobenzamide
CID 4982683
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533
3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 92529742
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
CID 87145992
1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
CID 14690561
2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 44665707
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(cinnamylideneamino)urea?
The IUPAC name of 1,3-bis(cinnamylideneamino)urea (CID 2823909) is 1,3-bis(cinnamylideneamino)urea.
What is the SMILES notation for 1,3-bis(cinnamylideneamino)urea?
The canonical SMILES for 1,3-bis(cinnamylideneamino)urea is O=C(NN=CC=Cc1ccccc1)NN=CC=Cc1ccccc1.
What is the InChIKey of 1,3-bis(cinnamylideneamino)urea?
The InChIKey is OZCTVSCDEUZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(22-20-15-7-13-17-9-3-1-4-10-17)23-21-16-8-14-18-11-5-2-6-12-18/h1-16H,(H2,22,23,24).
What are the key properties of 1,3-bis(cinnamylideneamino)urea?
1,3-bis(cinnamylideneamino)urea has a molecular weight of 318.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(cinnamylideneamino)urea is sourced from PubChem (CID 2823909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).