(3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide

C18H22N2O3 — CID 97016190

IUPAC(3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide
SMILESCOc1cccc([C@@H](C)CC(=O)N(C)c2cccnc2OC)c1
InChIInChI=1S/C18H22N2O3/c1-13(14-7-5-8-15(12-14)22-3)11-17(21)20(2)16-9-6-10-19-18(16)23-4/h5-10,12-13H,11H2,1-4H3/t13-/m0/s1
InChIKeyBNNYQMALHKMVOF-ZDUSSCGKSA-N
MW314.39 g/mol
LogP3.26
Rot. Bonds6

About (3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide

(3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide (PubChem CID 97016190) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide.

Molecular Properties

Compound Name(3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide
PubChem CID97016190
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide
SMILESCOc1cccc([C@@H](C)CC(=O)N(C)c2cccnc2OC)c1
InChIInChI=1S/C18H22N2O3/c1-13(14-7-5-8-15(12-14)22-3)11-17(21)20(2)16-9-6-10-19-18(16)23-4/h5-10,12-13H,11H2,1-4H3/t13-/m0/s1
InChIKeyBNNYQMALHKMVOF-ZDUSSCGKSA-N
XLogP3.26
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
(2S)-2-[(3-methoxyphenyl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94024629
5-(3-methoxyphenyl)hexan-2-one
CID 83928904
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
CID 123909157
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589
2-(3-methoxyphenyl)propyl formate
CID 91471144
2-(3-methoxyphenyl)propane-1-thiol
CID 20523012

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide?
The IUPAC name of (3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide (CID 97016190) is (3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide.
What is the SMILES notation for (3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide?
The canonical SMILES for (3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide is COc1cccc([C@@H](C)CC(=O)N(C)c2cccnc2OC)c1.
What is the InChIKey of (3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide?
The InChIKey is BNNYQMALHKMVOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(14-7-5-8-15(12-14)22-3)11-17(21)20(2)16-9-6-10-19-18(16)23-4/h5-10,12-13H,11H2,1-4H3/t13-/m0/s1.
What are the key properties of (3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide?
(3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide has a molecular weight of 314.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide is sourced from PubChem (CID 97016190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).