N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide

C18H22N2O2 — CID 23317221

IUPACN-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide
SMILESCc1ccc(N(C)CC(O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14-8-10-16(11-9-14)20(2)13-17(21)12-19-18(22)15-6-4-3-5-7-15/h3-11,17,21H,12-13H2,1-2H3,(H,19,22)
InChIKeyUIGJQIWQQCBOQT-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.22
Rot. Bonds6

About N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide

N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide (PubChem CID 23317221) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound NameN-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide
PubChem CID23317221
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide
SMILESCc1ccc(N(C)CC(O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14-8-10-16(11-9-14)20(2)13-17(21)12-19-18(22)15-6-4-3-5-7-15/h3-11,17,21H,12-13H2,1-2H3,(H,19,22)
InChIKeyUIGJQIWQQCBOQT-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
methyl 4-(N,4-dimethylanilino)-3-hydroxybutanoate
CID 115123263
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 23317216
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
bis((3R)-4-benzamido-3-hydroxybutanoate);hydron
CID 139147917
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide
CID 110281401
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960

Frequently Asked Questions

What is the IUPAC name of N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide?
The IUPAC name of N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide (CID 23317221) is N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide.
What is the SMILES notation for N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide?
The canonical SMILES for N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide is Cc1ccc(N(C)CC(O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide?
The InChIKey is UIGJQIWQQCBOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-8-10-16(11-9-14)20(2)13-17(21)12-19-18(22)15-6-4-3-5-7-15/h3-11,17,21H,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide?
N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 23317221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).