N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide

C22H30N2O2 — CID 39467394

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide
SMILESCC(C)N(CCNC(=O)c1ccccc1COc1ccccc1)C(C)C
InChIInChI=1S/C22H30N2O2/c1-17(2)24(18(3)4)15-14-23-22(25)21-13-9-8-10-19(21)16-26-20-11-6-5-7-12-20/h5-13,17-18H,14-16H2,1-4H3,(H,23,25)
InChIKeyXGTNHEPPPWVRED-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.11
Rot. Bonds9

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide (PubChem CID 39467394) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide
PubChem CID39467394
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide
SMILESCC(C)N(CCNC(=O)c1ccccc1COc1ccccc1)C(C)C
InChIInChI=1S/C22H30N2O2/c1-17(2)24(18(3)4)15-14-23-22(25)21-13-9-8-10-19(21)16-26-20-11-6-5-7-12-20/h5-13,17-18H,14-16H2,1-4H3,(H,23,25)
InChIKeyXGTNHEPPPWVRED-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
CID 119431897
N-[2-(2-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 24512894
2-(phenoxymethyl)-N-(3-phenylpropyl)benzamide
CID 32979372
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
2-(phenoxymethyl)-N-prop-2-enylbenzamide
CID 9399802
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
N-[2-(4-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 32979164
N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide
CID 17479222
2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 39466987
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 62073972
2-(phenoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 24512524
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 18160814

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide (CID 39467394) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide is CC(C)N(CCNC(=O)c1ccccc1COc1ccccc1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide?
The InChIKey is XGTNHEPPPWVRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17(2)24(18(3)4)15-14-23-22(25)21-13-9-8-10-19(21)16-26-20-11-6-5-7-12-20/h5-13,17-18H,14-16H2,1-4H3,(H,23,25).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide has a molecular weight of 354.49 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 39467394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).