N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide

C23H24N2O3 — CID 163218022

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(C)c3cccc(C(C)C)cc2-3)c1O
InChIInChI=1S/C23H24N2O3/c1-14(2)16-7-5-9-18-15(3)11-20(19(18)12-16)23(27)25-24-13-17-8-6-10-21(28-4)22(17)26/h5-14,26H,1-4H3,(H,25,27)/b24-13+
InChIKeyVCHNVRFFRLDZEA-ZMOGYAJESA-N
MW376.46 g/mol
LogP4.70
Rot. Bonds5

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide (PubChem CID 163218022) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide
PubChem CID163218022
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(C)c3cccc(C(C)C)cc2-3)c1O
InChIInChI=1S/C23H24N2O3/c1-14(2)16-7-5-9-18-15(3)11-20(19(18)12-16)23(27)25-24-13-17-8-6-10-21(28-4)22(17)26/h5-14,26H,1-4H3,(H,25,27)/b24-13+
InChIKeyVCHNVRFFRLDZEA-ZMOGYAJESA-N
XLogP4.70
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide
CID 163218011
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 5044456
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135606860
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 136750123
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylpyridine-4-carboxamide
CID 146020487
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135827951
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136802239
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105356
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749454

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide (CID 163218022) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide is COc1cccc(/C=N/NC(=O)c2cc(C)c3cccc(C(C)C)cc2-3)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide?
The InChIKey is VCHNVRFFRLDZEA-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H24N2O3/c1-14(2)16-7-5-9-18-15(3)11-20(19(18)12-16)23(27)25-24-13-17-8-6-10-21(28-4)22(17)26/h5-14,26H,1-4H3,(H,25,27)/b24-13+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide is sourced from PubChem (CID 163218022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).