2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide

C22H28N3O2+ — CID 8714658

IUPAC2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide
SMILESCC(C)[NH+]1CCC(=NNC(=O)c2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(2)25-14-12-19(13-15-25)23-24-22(26)20-10-6-7-11-21(20)27-16-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,24,26)/p+1
InChIKeyOHAMULUVCUHVDW-UHFFFAOYSA-O
MW366.49 g/mol
LogP2.44
Rot. Bonds6

About 2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide

2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide (PubChem CID 8714658) has the molecular formula C22H28N3O2+ and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide
PubChem CID8714658
Molecular FormulaC22H28N3O2+
Molecular Weight366.49 g/mol
Exact Mass366.22
IUPAC Name2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide
SMILESCC(C)[NH+]1CCC(=NNC(=O)c2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(2)25-14-12-19(13-15-25)23-24-22(26)20-10-6-7-11-21(20)27-16-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,24,26)/p+1
InChIKeyOHAMULUVCUHVDW-UHFFFAOYSA-O
XLogP2.44
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
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

2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54785183
N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide
CID 4937912
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898
N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5237889
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate
CID 70238242
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide?
The IUPAC name of 2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide (CID 8714658) is 2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide.
What is the SMILES notation for 2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide?
The canonical SMILES for 2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide is CC(C)[NH+]1CCC(=NNC(=O)c2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of 2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide?
The InChIKey is OHAMULUVCUHVDW-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H27N3O2/c1-17(2)25-14-12-19(13-15-25)23-24-22(26)20-10-6-7-11-21(20)27-16-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,24,26)/p+1.
What are the key properties of 2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide?
2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide has a molecular weight of 366.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide is sourced from PubChem (CID 8714658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).