[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone

C24H33NO2 — CID 19760990

IUPAC[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
SMILESCN(C)CCCCCCCCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2/c1-25(2)19-11-6-4-3-5-7-12-20-27-23-17-15-22(16-18-23)24(26)21-13-9-8-10-14-21/h8-10,13-18H,3-7,11-12,19-20H2,1-2H3
InChIKeyBAMNSIVVRGDYJB-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.59
Rot. Bonds13

About [4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone

[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone (PubChem CID 19760990) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is [4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
PubChem CID19760990
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
SMILESCN(C)CCCCCCCCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2/c1-25(2)19-11-6-4-3-5-7-12-20-27-23-17-15-22(16-18-23)24(26)21-13-9-8-10-14-21/h8-10,13-18H,3-7,11-12,19-20H2,1-2H3
InChIKeyBAMNSIVVRGDYJB-UHFFFAOYSA-N
XLogP5.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
[4-[3-[methyl(octadecyl)amino]propoxy]phenyl]-phenylmethanone
CID 118461102
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone
CID 10981049
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide
CID 45261576
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
11-(4-benzoylphenoxy)undecyl 2-bromo-2-methylpropanoate
CID 153483732
4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 70452870
12-(4-benzoylphenoxy)dodecylphosphonic acid
CID 86002204
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
N,N-dimethyl-4-[4-(2-phenylpropan-2-yl)phenoxy]butan-1-amine;oxalic acid
CID 2934373

Frequently Asked Questions

What is the IUPAC name of [4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone (CID 19760990) is [4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone is CN(C)CCCCCCCCCOc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone?
The InChIKey is BAMNSIVVRGDYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-25(2)19-11-6-4-3-5-7-12-20-27-23-17-15-22(16-18-23)24(26)21-13-9-8-10-14-21/h8-10,13-18H,3-7,11-12,19-20H2,1-2H3.
What are the key properties of [4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone?
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone has a molecular weight of 367.53 g/mol, XLogP of 5.59, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 19760990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).