2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide

C19H22ClN3O5 — CID 155303020

IUPAC2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC[C@@H](O)CCNC(=O)COc1ccccn1
InChIInChI=1S/C19H22ClN3O5/c20-14-4-3-5-16(10-14)27-12-18(26)23-11-15(24)7-9-21-17(25)13-28-19-6-1-2-8-22-19/h1-6,8,10,15,24H,7,9,11-13H2,(H,21,25)(H,23,26)/t15-/m0/s1
InChIKeyQMEQVSYHGVWLHF-HNNXBMFYSA-N
MW407.85 g/mol
LogP1.18
Rot. Bonds11

About 2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide

2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide (PubChem CID 155303020) has the molecular formula C19H22ClN3O5 and a molecular weight of 407.85 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide
PubChem CID155303020
Molecular FormulaC19H22ClN3O5
Molecular Weight407.85 g/mol
Exact Mass407.12
IUPAC Name2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC[C@@H](O)CCNC(=O)COc1ccccn1
InChIInChI=1S/C19H22ClN3O5/c20-14-4-3-5-16(10-14)27-12-18(26)23-11-15(24)7-9-21-17(25)13-28-19-6-1-2-8-22-19/h1-6,8,10,15,24H,7,9,11-13H2,(H,21,25)(H,23,26)/t15-/m0/s1
InChIKeyQMEQVSYHGVWLHF-HNNXBMFYSA-N
XLogP1.18
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 155302933
2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632756
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide
CID 155302808
N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
CID 114306028
methyl 2-bromo-3-[[2-(3-chlorophenoxy)acetyl]amino]propanoate
CID 103492346
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide
CID 106288395
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
CID 62652936
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide (CID 155303020) is 2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide is O=C(COc1cccc(Cl)c1)NC[C@@H](O)CCNC(=O)COc1ccccn1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide?
The InChIKey is QMEQVSYHGVWLHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClN3O5/c20-14-4-3-5-16(10-14)27-12-18(26)23-11-15(24)7-9-21-17(25)13-28-19-6-1-2-8-22-19/h1-6,8,10,15,24H,7,9,11-13H2,(H,21,25)(H,23,26)/t15-/m0/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide?
2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide has a molecular weight of 407.85 g/mol, XLogP of 1.18, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide is sourced from PubChem (CID 155303020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).