2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide

C22H28N2O2 — CID 16892467

IUPAC2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide
SMILESCc1cc(C)c(C(=O)NCCN2CCOC(c3ccccc3)C2)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-16-13-17(2)21(18(3)14-16)22(25)23-9-10-24-11-12-26-20(15-24)19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyDDXJGZWKOJPHFH-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.42
Rot. Bonds5

About 2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide

2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide (PubChem CID 16892467) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide
PubChem CID16892467
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide
SMILESCc1cc(C)c(C(=O)NCCN2CCOC(c3ccccc3)C2)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-16-13-17(2)21(18(3)14-16)22(25)23-9-10-24-11-12-26-20(15-24)19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyDDXJGZWKOJPHFH-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethyl-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 1105927
[(2-Phenylethyl)carbamoyl]methyl 3,4-dimethylbenzoate
CID 2715809
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,4-dimethylbenzoate
CID 4802847
4-[2-(Hydroxymethyl)naphthalen-1-Yl]-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 60196237
Isoindolinone scaffold, 28
CID 16090441
N-[2-(morpholin-4-yl)ethyl]naphthalene-2-carboxamide
CID 1082794
N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-2-ylphenyl)phenyl]pentanamide
CID 44348116
(2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride
CID 45481580
3-(4-Propylmorpholin-2-yl)benzamide
CID 44443914
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 3142634
(4aR,10bR)-N-methyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide
CID 15389744
(4aR,10bR)-N-butyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide
CID 44591587

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide (CID 16892467) is 2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide is Cc1cc(C)c(C(=O)NCCN2CCOC(c3ccccc3)C2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide?
The InChIKey is DDXJGZWKOJPHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-13-17(2)21(18(3)14-16)22(25)23-9-10-24-11-12-26-20(15-24)19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25).
What are the key properties of 2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide?
2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide is sourced from PubChem (CID 16892467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).