(2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide

C18H23N3O3 — CID 67235584

IUPAC(2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide
SMILESCC[C@](C)(N)C(=O)Nc1ccc(Oc2ccc(C)c(OC)c2)nc1
InChIInChI=1S/C18H23N3O3/c1-5-18(3,19)17(22)21-13-7-9-16(20-11-13)24-14-8-6-12(2)15(10-14)23-4/h6-11H,5,19H2,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyLZARMUYIRDNEGA-SFHVURJKSA-N
MW329.40 g/mol
LogP3.26
Rot. Bonds6

About (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide

(2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide (PubChem CID 67235584) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide
PubChem CID67235584
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide
SMILESCC[C@](C)(N)C(=O)Nc1ccc(Oc2ccc(C)c(OC)c2)nc1
InChIInChI=1S/C18H23N3O3/c1-5-18(3,19)17(22)21-13-7-9-16(20-11-13)24-14-8-6-12(2)15(10-14)23-4/h6-11H,5,19H2,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyLZARMUYIRDNEGA-SFHVURJKSA-N
XLogP3.26
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide with MolForge

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Related Compounds

[(2R)-1-[[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid
CID 67235867
N-tert-butyl-N-[1-[[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]cyclopropyl]carbamate
CID 131746325
2-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849182
[(2R)-1-[[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate
CID 123754892
[(2R)-5,5-dimethyl-1-[[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]amino]-1-oxohexan-2-yl] carbamate
CID 152744005
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
N-tert-butyl-N-[(2R)-1-[[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 154502006
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
CID 79797274
[(2R)-2-amino-1-[[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]amino]-1-oxobutan-2-yl] 2,2,2-trifluoroacetate
CID 162769495
N-tert-butyl-N-[(2R)-1-[[6-(5-methoxy-2-methylphenoxy)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
CID 86673590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide (CID 67235584) is (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide is CC[C@](C)(N)C(=O)Nc1ccc(Oc2ccc(C)c(OC)c2)nc1.
What is the InChIKey of (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide?
The InChIKey is LZARMUYIRDNEGA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-18(3,19)17(22)21-13-7-9-16(20-11-13)24-14-8-6-12(2)15(10-14)23-4/h6-11H,5,19H2,1-4H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide?
(2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide has a molecular weight of 329.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide is sourced from PubChem (CID 67235584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).