(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide

C20H20N2O3 — CID 38938953

IUPAC(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide
SMILESCOc1cccc(CO[C@@H](C)C(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O3/c1-14(25-13-15-6-5-8-18(10-15)24-2)20(23)22-17-11-16-7-3-4-9-19(16)21-12-17/h3-12,14H,13H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyPYDAGAXUKWFUID-AWEZNQCLSA-N
MW336.39 g/mol
LogP3.79
Rot. Bonds6

About (2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide

(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide (PubChem CID 38938953) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide
PubChem CID38938953
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide
SMILESCOc1cccc(CO[C@@H](C)C(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O3/c1-14(25-13-15-6-5-8-18(10-15)24-2)20(23)22-17-11-16-7-3-4-9-19(16)21-12-17/h3-12,14H,13H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyPYDAGAXUKWFUID-AWEZNQCLSA-N
XLogP3.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
N-(7-methoxyquinolin-3-yl)-2-naphthalen-1-yloxypropanamide
CID 110279383
(2R)-N-[3-(ethylaminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 124570178
2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686685
3-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540630
2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 119253837
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86986127
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
CID 60552955
2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide
CID 46525134
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide?
The IUPAC name of (2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide (CID 38938953) is (2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide.
What is the SMILES notation for (2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide?
The canonical SMILES for (2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide is COc1cccc(CO[C@@H](C)C(=O)Nc2cnc3ccccc3c2)c1.
What is the InChIKey of (2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide?
The InChIKey is PYDAGAXUKWFUID-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14(25-13-15-6-5-8-18(10-15)24-2)20(23)22-17-11-16-7-3-4-9-19(16)21-12-17/h3-12,14H,13H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide?
(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide has a molecular weight of 336.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 38938953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).