[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium

C17H21N2O2+ — CID 42149432

IUPAC[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
SMILES[NH3+]CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)/p+1
InChIKeyQTWBKNVNGVYTNZ-UHFFFAOYSA-O
MW285.37 g/mol
LogP2.23
Rot. Bonds7

About [4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium

[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium (PubChem CID 42149432) has the molecular formula C17H21N2O2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is [4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium.

Molecular Properties

Compound Name[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
PubChem CID42149432
Molecular FormulaC17H21N2O2+
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
SMILES[NH3+]CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)/p+1
InChIKeyQTWBKNVNGVYTNZ-UHFFFAOYSA-O
XLogP2.23
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide
CID 9034708
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
methyl (2S)-2-[[5-oxo-5-(4-phenylmethoxyanilino)pentanoyl]amino]-3-phenylpropanoate
CID 41263642
3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115673
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257

Frequently Asked Questions

What is the IUPAC name of [4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium?
The IUPAC name of [4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium (CID 42149432) is [4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium.
What is the SMILES notation for [4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium?
The canonical SMILES for [4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium is [NH3+]CCCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium?
The InChIKey is QTWBKNVNGVYTNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)/p+1.
What are the key properties of [4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium?
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium has a molecular weight of 285.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium is sourced from PubChem (CID 42149432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).