[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate

C24H32N4O3 — CID 166853599

IUPAC[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC/C(N)=C/N(N)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C24H32N4O3/c1-27(16-19-8-4-2-5-9-19)24(29)30-18-20(25)17-28(26)21-12-14-23(15-13-21)31-22-10-6-3-7-11-22/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11,16,18,25-26H2,1H3/b20-17-
InChIKeyAUCQNTKKHXWMOE-JZJYNLBNSA-N
MW424.55 g/mol
LogP4.15
Rot. Bonds8

About [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate

[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate (PubChem CID 166853599) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate
PubChem CID166853599
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC/C(N)=C/N(N)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C24H32N4O3/c1-27(16-19-8-4-2-5-9-19)24(29)30-18-20(25)17-28(26)21-12-14-23(15-13-21)31-22-10-6-3-7-11-22/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11,16,18,25-26H2,1H3/b20-17-
InChIKeyAUCQNTKKHXWMOE-JZJYNLBNSA-N
XLogP4.15
TPSA94.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate?
The IUPAC name of [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate (CID 166853599) is [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate.
What is the SMILES notation for [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate?
The canonical SMILES for [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)OC/C(N)=C/N(N)c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate?
The InChIKey is AUCQNTKKHXWMOE-JZJYNLBNSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-27(16-19-8-4-2-5-9-19)24(29)30-18-20(25)17-28(26)21-12-14-23(15-13-21)31-22-10-6-3-7-11-22/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11,16,18,25-26H2,1H3/b20-17-.
What are the key properties of [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate?
[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate has a molecular weight of 424.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate is sourced from PubChem (CID 166853599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).