N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide

C18H20N2O3 — CID 110338477

IUPACN-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCCCOc1ccccc1/C=N/NC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H20N2O3/c1-2-3-12-23-17-7-5-4-6-15(17)13-19-20-18(22)14-8-10-16(21)11-9-14/h4-11,13,21H,2-3,12H2,1H3,(H,20,22)/b19-13+
InChIKeyAEUGORBMCPAKJP-CPNJWEJPSA-N
MW312.37 g/mol
LogP3.34
Rot. Bonds7

About N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide

N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 110338477) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID110338477
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCCCOc1ccccc1/C=N/NC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H20N2O3/c1-2-3-12-23-17-7-5-4-6-15(17)13-19-20-18(22)14-8-10-16(21)11-9-14/h4-11,13,21H,2-3,12H2,1H3,(H,20,22)/b19-13+
InChIKeyAEUGORBMCPAKJP-CPNJWEJPSA-N
XLogP3.34
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 6163914
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 2306178
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-pentoxyphenyl)methylideneamino]benzamide
CID 56693862
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-hexoxyphenyl)methylideneamino]benzamide
CID 6321755
N-[1-[2-[(2-butoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3926301
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169392

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide (CID 110338477) is N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide is CCCCOc1ccccc1/C=N/NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is AEUGORBMCPAKJP-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-3-12-23-17-7-5-4-6-15(17)13-19-20-18(22)14-8-10-16(21)11-9-14/h4-11,13,21H,2-3,12H2,1H3,(H,20,22)/b19-13+.
What are the key properties of N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide?
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 312.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 110338477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).