2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide

C20H31N3O3 — CID 124828678

IUPAC2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(N[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1
InChIInChI=1S/C20H31N3O3/c1-5-21-19(24)13-26-18-11-9-17(10-12-18)22-16(4)20(25)23-14(2)7-6-8-15(23)3/h9-12,14-16,22H,5-8,13H2,1-4H3,(H,21,24)/t14-,15-,16-/m1/s1
InChIKeyVOIQIOIHYQTKIE-BZUAXINKSA-N
MW361.49 g/mol
LogP2.79
Rot. Bonds7

About 2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide

2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide (PubChem CID 124828678) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide
PubChem CID124828678
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(N[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1
InChIInChI=1S/C20H31N3O3/c1-5-21-19(24)13-26-18-11-9-17(10-12-18)22-16(4)20(25)23-14(2)7-6-8-15(23)3/h9-12,14-16,22H,5-8,13H2,1-4H3,(H,21,24)/t14-,15-,16-/m1/s1
InChIKeyVOIQIOIHYQTKIE-BZUAXINKSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 52511172
2-(cyclopropylmethylamino)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119713365
N-(1,3-benzodioxol-5-yl)-2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]propanamide
CID 55598497
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 32936903
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one
CID 86976500
2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 11935742
[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 11935738
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 119283903
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621065

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide (CID 124828678) is 2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(N[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1.
What is the InChIKey of 2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide?
The InChIKey is VOIQIOIHYQTKIE-BZUAXINKSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-5-21-19(24)13-26-18-11-9-17(10-12-18)22-16(4)20(25)23-14(2)7-6-8-15(23)3/h9-12,14-16,22H,5-8,13H2,1-4H3,(H,21,24)/t14-,15-,16-/m1/s1.
What are the key properties of 2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide?
2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide has a molecular weight of 361.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 124828678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).