4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide

C19H22N2O2 — CID 4929975

IUPAC4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14(2)13-23-18-11-9-17(10-12-18)19(22)21-20-15(3)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,21,22)
InChIKeyFCIIBRCTRLHSGX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.88
Rot. Bonds6

About 4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide

4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide (PubChem CID 4929975) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
PubChem CID4929975
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14(2)13-23-18-11-9-17(10-12-18)19(22)21-20-15(3)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,21,22)
InChIKeyFCIIBRCTRLHSGX-UHFFFAOYSA-N
XLogP3.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.88
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'}

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Related Compounds

N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929974
N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4930013
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 6233039
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide (CID 4929975) is 4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide is CC(=NNC(=O)c1ccc(OCC(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide?
The InChIKey is FCIIBRCTRLHSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(2)13-23-18-11-9-17(10-12-18)19(22)21-20-15(3)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,21,22).
What are the key properties of 4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide?
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide is sourced from PubChem (CID 4929975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).