N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide

C16H25FN2O3 — CID 26005266

IUPACN,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)C[C@H](O)COc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O3/c1-4-19(5-2)16(21)11-18(3)10-14(20)12-22-15-8-6-13(17)7-9-15/h6-9,14,20H,4-5,10-12H2,1-3H3/t14-/m0/s1
InChIKeyWMBVVCAUYBILKO-AWEZNQCLSA-N
MW312.38 g/mol
LogP1.37
Rot. Bonds9

About N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide

N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide (PubChem CID 26005266) has the molecular formula C16H25FN2O3 and a molecular weight of 312.38 g/mol. Its IUPAC name is N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
PubChem CID26005266
Molecular FormulaC16H25FN2O3
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC NameN,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)C[C@H](O)COc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O3/c1-4-19(5-2)16(21)11-18(3)10-14(20)12-22-15-8-6-13(17)7-9-15/h6-9,14,20H,4-5,10-12H2,1-3H3/t14-/m0/s1
InChIKeyWMBVVCAUYBILKO-AWEZNQCLSA-N
XLogP1.37
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882203
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide
CID 111635190
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110019576
1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 4300673
ethyl 4-[(2S)-3-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-hydroxypropoxy]benzoate
CID 26007251
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid
CID 62826123
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
[3-(4-fluorophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 139559416
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide (CID 26005266) is N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide is CCN(CC)C(=O)CN(C)C[C@H](O)COc1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide?
The InChIKey is WMBVVCAUYBILKO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25FN2O3/c1-4-19(5-2)16(21)11-18(3)10-14(20)12-22-15-8-6-13(17)7-9-15/h6-9,14,20H,4-5,10-12H2,1-3H3/t14-/m0/s1.
What are the key properties of N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide?
N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide has a molecular weight of 312.38 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide is sourced from PubChem (CID 26005266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).