N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide

C19H22N2O2 — CID 3714255

IUPACN-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
SMILESCC(=O)N=C1C=CC(=CN(O)C(C)(C)Cc2ccccc2)C=C1
InChIInChI=1S/C19H22N2O2/c1-15(22)20-18-11-9-17(10-12-18)14-21(23)19(2,3)13-16-7-5-4-6-8-16/h4-12,14,23H,13H2,1-3H3/b17-14-,20-18+
InChIKeyVNUQLIMDMXEETA-RWDYQQOESA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds4

About N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide

N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide (PubChem CID 3714255) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
PubChem CID3714255
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
SMILESCC(=O)N=C1C=CC(=CN(O)C(C)(C)Cc2ccccc2)C=C1
InChIInChI=1S/C19H22N2O2/c1-15(22)20-18-11-9-17(10-12-18)14-21(23)19(2,3)13-16-7-5-4-6-8-16/h4-12,14,23H,13H2,1-3H3/b17-14-,20-18+
InChIKeyVNUQLIMDMXEETA-RWDYQQOESA-N
XLogP3.70
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
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'}

Analyze N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide?
The IUPAC name of N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide (CID 3714255) is N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide?
The canonical SMILES for N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide is CC(=O)N=C1C=CC(=CN(O)C(C)(C)Cc2ccccc2)C=C1.
What is the InChIKey of N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide?
The InChIKey is VNUQLIMDMXEETA-RWDYQQOESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15(22)20-18-11-9-17(10-12-18)14-21(23)19(2,3)13-16-7-5-4-6-8-16/h4-12,14,23H,13H2,1-3H3/b17-14-,20-18+.
What are the key properties of N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide?
N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[hydroxy-(2-methyl-1-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-ylidene]acetamide is sourced from PubChem (CID 3714255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).