methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate

C15H15N3O2 — CID 7601967

IUPACmethyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c1-20-15(19)18-16-11-12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-11,17H,1H3,(H,18,19)/b16-11-
InChIKeyZJIXUKZWWYJXKO-WJDWOHSUSA-N
MW269.30 g/mol
LogP3.12
Rot. Bonds4

About methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate

methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate (PubChem CID 7601967) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate
PubChem CID7601967
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namemethyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c1-20-15(19)18-16-11-12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-11,17H,1H3,(H,18,19)/b16-11-
InChIKeyZJIXUKZWWYJXKO-WJDWOHSUSA-N
XLogP3.12
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.12
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

methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 7602026
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
methyl N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]carbamate
CID 6289784

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate (CID 7601967) is methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate is COC(=O)N/N=C\c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate?
The InChIKey is ZJIXUKZWWYJXKO-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-15(19)18-16-11-12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-11,17H,1H3,(H,18,19)/b16-11-.
What are the key properties of methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate?
methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate has a molecular weight of 269.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate is sourced from PubChem (CID 7601967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).