(2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide

C19H24N2O4 — CID 94866694

IUPAC(2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCc1ccc(OCc2cccnc2)c(OC)c1
InChIInChI=1S/C19H24N2O4/c1-4-24-14(2)19(22)21-12-15-7-8-17(18(10-15)23-3)25-13-16-6-5-9-20-11-16/h5-11,14H,4,12-13H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyPUQYETFGXKVRCH-AWEZNQCLSA-N
MW344.41 g/mol
LogP2.71
Rot. Bonds9

About (2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide

(2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide (PubChem CID 94866694) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
PubChem CID94866694
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCc1ccc(OCc2cccnc2)c(OC)c1
InChIInChI=1S/C19H24N2O4/c1-4-24-14(2)19(22)21-12-15-7-8-17(18(10-15)23-3)25-13-16-6-5-9-20-11-16/h5-11,14H,4,12-13H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyPUQYETFGXKVRCH-AWEZNQCLSA-N
XLogP2.71
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 38934279
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 132968535
2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 166405501
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 55419475
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide (CID 94866694) is (2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide is CCO[C@@H](C)C(=O)NCc1ccc(OCc2cccnc2)c(OC)c1.
What is the InChIKey of (2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
The InChIKey is PUQYETFGXKVRCH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-24-14(2)19(22)21-12-15-7-8-17(18(10-15)23-3)25-13-16-6-5-9-20-11-16/h5-11,14H,4,12-13H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
(2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide has a molecular weight of 344.41 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 94866694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).