N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide

C23H32N2O2 — CID 143395438

IUPACN-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide
SMILESCCCC(CCC)Oc1ccc(N(C)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H32N2O2/c1-4-9-21(10-5-2)27-22-15-13-20(14-16-22)25(3)18-17-24-23(26)19-11-7-6-8-12-19/h6-8,11-16,21H,4-5,9-10,17-18H2,1-3H3,(H,24,26)
InChIKeyVTEPSIZLEYADAT-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.90
Rot. Bonds11

About N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide

N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide (PubChem CID 143395438) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide
PubChem CID143395438
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide
SMILESCCCC(CCC)Oc1ccc(N(C)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H32N2O2/c1-4-9-21(10-5-2)27-22-15-13-20(14-16-22)25(3)18-17-24-23(26)19-11-7-6-8-12-19/h6-8,11-16,21H,4-5,9-10,17-18H2,1-3H3,(H,24,26)
InChIKeyVTEPSIZLEYADAT-UHFFFAOYSA-N
XLogP4.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25394977
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113061087
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396160
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 43347009
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide?
The IUPAC name of N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide (CID 143395438) is N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide is CCCC(CCC)Oc1ccc(N(C)CCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide?
The InChIKey is VTEPSIZLEYADAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-4-9-21(10-5-2)27-22-15-13-20(14-16-22)25(3)18-17-24-23(26)19-11-7-6-8-12-19/h6-8,11-16,21H,4-5,9-10,17-18H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide?
N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide has a molecular weight of 368.52 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 143395438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).