N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide

C25H36N2O5 — CID 99732164

IUPACN-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
SMILESCC(C)CN(C[C@H]1CN(C[C@@H](O)COCc2ccco2)CCO1)C(=O)Cc1ccccc1
InChIInChI=1S/C25H36N2O5/c1-20(2)14-27(25(29)13-21-7-4-3-5-8-21)17-24-16-26(10-12-32-24)15-22(28)18-30-19-23-9-6-11-31-23/h3-9,11,20,22,24,28H,10,12-19H2,1-2H3/t22-,24-/m1/s1
InChIKeyJKRYMSOYUFSDGP-ISKFKSNPSA-N
MW444.57 g/mol
LogP2.59
Rot. Bonds12

About N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide

N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide (PubChem CID 99732164) has the molecular formula C25H36N2O5 and a molecular weight of 444.57 g/mol. Its IUPAC name is N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
PubChem CID99732164
Molecular FormulaC25H36N2O5
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC NameN-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
SMILESCC(C)CN(C[C@H]1CN(C[C@@H](O)COCc2ccco2)CCO1)C(=O)Cc1ccccc1
InChIInChI=1S/C25H36N2O5/c1-20(2)14-27(25(29)13-21-7-4-3-5-8-21)17-24-16-26(10-12-32-24)15-22(28)18-30-19-23-9-6-11-31-23/h3-9,11,20,22,24,28H,10,12-19H2,1-2H3/t22-,24-/m1/s1
InChIKeyJKRYMSOYUFSDGP-ISKFKSNPSA-N
XLogP2.59
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-4-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 92989372
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 95330936
N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42849325
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
[2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate
CID 42862384
N-cyclopentyl-N-[[4-(2-hydroxy-3-phenylmethoxypropyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862417
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide
CID 42862218
1-[2-(aminomethyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 114398972
(2S)-1-(furan-2-ylmethoxy)-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124778946
N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060141
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99729951

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide?
The IUPAC name of N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide (CID 99732164) is N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide.
What is the SMILES notation for N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide?
The canonical SMILES for N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide is CC(C)CN(C[C@H]1CN(C[C@@H](O)COCc2ccco2)CCO1)C(=O)Cc1ccccc1.
What is the InChIKey of N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide?
The InChIKey is JKRYMSOYUFSDGP-ISKFKSNPSA-N. The full InChI is InChI=1S/C25H36N2O5/c1-20(2)14-27(25(29)13-21-7-4-3-5-8-21)17-24-16-26(10-12-32-24)15-22(28)18-30-19-23-9-6-11-31-23/h3-9,11,20,22,24,28H,10,12-19H2,1-2H3/t22-,24-/m1/s1.
What are the key properties of N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide?
N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide has a molecular weight of 444.57 g/mol, XLogP of 2.59, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide is sourced from PubChem (CID 99732164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).