(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide

C17H20N2O4 — CID 95206608

IUPAC(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
SMILESCC[C@H](O)C(=O)NCc1cccnc1Oc1ccccc1OC
InChIInChI=1S/C17H20N2O4/c1-3-13(20)16(21)19-11-12-7-6-10-18-17(12)23-15-9-5-4-8-14(15)22-2/h4-10,13,20H,3,11H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyPHGGVDDYJJYVAR-ZDUSSCGKSA-N
MW316.36 g/mol
LogP2.27
Rot. Bonds7

About (2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide

(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide (PubChem CID 95206608) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
PubChem CID95206608
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
SMILESCC[C@H](O)C(=O)NCc1cccnc1Oc1ccccc1OC
InChIInChI=1S/C17H20N2O4/c1-3-13(20)16(21)19-11-12-7-6-10-18-17(12)23-15-9-5-4-8-14(15)22-2/h4-10,13,20H,3,11H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyPHGGVDDYJJYVAR-ZDUSSCGKSA-N
XLogP2.27
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 95208041
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 56741172
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 42291642
(2S)-2-amino-3,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 119852317
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]furan-3-carboxamide
CID 26409085
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42515365
3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 120503036
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinoline-6-carboxamide
CID 56738127
2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119852318
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 56752971

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide?
The IUPAC name of (2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide (CID 95206608) is (2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide is CC[C@H](O)C(=O)NCc1cccnc1Oc1ccccc1OC.
What is the InChIKey of (2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide?
The InChIKey is PHGGVDDYJJYVAR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-13(20)16(21)19-11-12-7-6-10-18-17(12)23-15-9-5-4-8-14(15)22-2/h4-10,13,20H,3,11H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide?
(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide has a molecular weight of 316.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 95206608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).