2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide

C26H37N3O2 — CID 56540739

IUPAC2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)NCc1ccccc1CN1CC(C)OC(C)C1)c1ccccc1
InChIInChI=1S/C26H37N3O2/c1-5-29(6-2)25(22-12-8-7-9-13-22)26(30)27-16-23-14-10-11-15-24(23)19-28-17-20(3)31-21(4)18-28/h7-15,20-21,25H,5-6,16-19H2,1-4H3,(H,27,30)
InChIKeyITBBSZWCHHFCSU-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.00
Rot. Bonds9

About 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide

2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide (PubChem CID 56540739) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide
PubChem CID56540739
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)NCc1ccccc1CN1CC(C)OC(C)C1)c1ccccc1
InChIInChI=1S/C26H37N3O2/c1-5-29(6-2)25(22-12-8-7-9-13-22)26(30)27-16-23-14-10-11-15-24(23)19-28-17-20(3)31-21(4)18-28/h7-15,20-21,25H,5-6,16-19H2,1-4H3,(H,27,30)
InChIKeyITBBSZWCHHFCSU-UHFFFAOYSA-N
XLogP4.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide with MolForge

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Related Compounds

2-(diethylamino)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 56540663
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55745875
2-amino-N-[[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylpropanamide
CID 124696235
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 51121223
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 78880331
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 47042325
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 125072960
trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 125146554
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
3-amino-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60515210
2-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 56538273

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide (CID 56540739) is 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide is CCN(CC)C(C(=O)NCc1ccccc1CN1CC(C)OC(C)C1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide?
The InChIKey is ITBBSZWCHHFCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-5-29(6-2)25(22-12-8-7-9-13-22)26(30)27-16-23-14-10-11-15-24(23)19-28-17-20(3)31-21(4)18-28/h7-15,20-21,25H,5-6,16-19H2,1-4H3,(H,27,30).
What are the key properties of 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide?
2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide has a molecular weight of 423.60 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 56540739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).