[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea

C22H21N3O3 — CID 1267665

IUPAC[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C22H21N3O3/c23-22(26)25-24-14-19-11-12-20(27-15-17-7-3-1-4-8-17)21(13-19)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H3,23,25,26)
InChIKeyHJVBSPGEBHBIQS-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.85
Rot. Bonds8

About [[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea

[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea (PubChem CID 1267665) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is [[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
PubChem CID1267665
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C22H21N3O3/c23-22(26)25-24-14-19-11-12-20(27-15-17-7-3-1-4-8-17)21(13-19)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H3,23,25,26)
InChIKeyHJVBSPGEBHBIQS-UHFFFAOYSA-N
XLogP3.85
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
[5-[(carbamoylhydrazinylidene)methyl]-2-phenylmethoxyphenyl]boronic acid
CID 168534084
N'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290
ethyl N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902975
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 4508535
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 3663554
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126273066
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313

Frequently Asked Questions

What is the IUPAC name of [[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea?
The IUPAC name of [[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea (CID 1267665) is [[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea is NC(=O)NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of [[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea?
The InChIKey is HJVBSPGEBHBIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c23-22(26)25-24-14-19-11-12-20(27-15-17-7-3-1-4-8-17)21(13-19)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H3,23,25,26).
What are the key properties of [[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea?
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea has a molecular weight of 375.43 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 1267665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).