N-[(2-pentoxyphenyl)methylideneamino]benzamide

C19H22N2O2 — CID 5219776

IUPACN-[(2-pentoxyphenyl)methylideneamino]benzamide
SMILESCCCCCOc1ccccc1C=NNC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-3-9-14-23-18-13-8-7-12-17(18)15-20-21-19(22)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,21,22)
InChIKeyWOMUBCNOPVACPH-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.02
Rot. Bonds8

About N-[(2-pentoxyphenyl)methylideneamino]benzamide

N-[(2-pentoxyphenyl)methylideneamino]benzamide (PubChem CID 5219776) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(2-pentoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(2-pentoxyphenyl)methylideneamino]benzamide
PubChem CID5219776
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(2-pentoxyphenyl)methylideneamino]benzamide
SMILESCCCCCOc1ccccc1C=NNC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-3-9-14-23-18-13-8-7-12-17(18)15-20-21-19(22)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,21,22)
InChIKeyWOMUBCNOPVACPH-UHFFFAOYSA-N
XLogP4.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
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-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524880
N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 9499718
5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 3538780
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
1-methyl-3-[(E)-(2-pentoxyphenyl)methylideneamino]thiourea
CID 110338496

Frequently Asked Questions

What is the IUPAC name of N-[(2-pentoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(2-pentoxyphenyl)methylideneamino]benzamide (CID 5219776) is N-[(2-pentoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(2-pentoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(2-pentoxyphenyl)methylideneamino]benzamide is CCCCCOc1ccccc1C=NNC(=O)c1ccccc1.
What is the InChIKey of N-[(2-pentoxyphenyl)methylideneamino]benzamide?
The InChIKey is WOMUBCNOPVACPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-3-9-14-23-18-13-8-7-12-17(18)15-20-21-19(22)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,21,22).
What are the key properties of N-[(2-pentoxyphenyl)methylideneamino]benzamide?
N-[(2-pentoxyphenyl)methylideneamino]benzamide has a molecular weight of 310.40 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pentoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5219776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).