[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea

C16H16N4O5 — CID 74852654

IUPAC[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea
SMILESCOc1cc(C=NNC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N4O5/c1-24-15-8-12(9-18-19-16(17)21)4-7-14(15)25-10-11-2-5-13(6-3-11)20(22)23/h2-9H,10H2,1H3,(H3,17,19,21)
InChIKeyMHDFACQYVKMRKA-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.18
Rot. Bonds7

About [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea

[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 74852654) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID74852654
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea
SMILESCOc1cc(C=NNC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N4O5/c1-24-15-8-12(9-18-19-16(17)21)4-7-14(15)25-10-11-2-5-13(6-3-11)20(22)23/h2-9H,10H2,1H3,(H3,17,19,21)
InChIKeyMHDFACQYVKMRKA-UHFFFAOYSA-N
XLogP2.18
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 3303163
methyl N-[(Z)-[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]carbamate
CID 9143032
N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 124541148
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329395
3,5-dimethoxy-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6269606
[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 4508535
2,4-dimethoxy-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 4218029
(NE)-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898086
2-bromo-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146920
4-(4-methoxy-3-methylphenyl)-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanamide
CID 6072098
2-(2,4-dimethylphenyl)-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133145340

Frequently Asked Questions

What is the IUPAC name of [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea (CID 74852654) is [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea is COc1cc(C=NNC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is MHDFACQYVKMRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-24-15-8-12(9-18-19-16(17)21)4-7-14(15)25-10-11-2-5-13(6-3-11)20(22)23/h2-9H,10H2,1H3,(H3,17,19,21).
What are the key properties of [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea?
[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 344.33 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 74852654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).