(2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide

C26H29N3O4 — CID 97352244

IUPAC(2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cc(CNC(=O)[C@@H](C)Oc3ccc(C)cc3)ccn2)cc1
InChIInChI=1S/C26H29N3O4/c1-17-5-9-22(10-6-17)32-19(3)25(30)28-16-21-13-14-27-24(15-21)29-26(31)20(4)33-23-11-7-18(2)8-12-23/h5-15,19-20H,16H2,1-4H3,(H,28,30)(H,27,29,31)/t19-,20+/m1/s1
InChIKeyXVDZQMNVYZYXEK-UXHICEINSA-N
MW447.54 g/mol
LogP4.19
Rot. Bonds9

About (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide

(2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide (PubChem CID 97352244) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide
PubChem CID97352244
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name(2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cc(CNC(=O)[C@@H](C)Oc3ccc(C)cc3)ccn2)cc1
InChIInChI=1S/C26H29N3O4/c1-17-5-9-22(10-6-17)32-19(3)25(30)28-16-21-13-14-27-24(15-21)29-26(31)20(4)33-23-11-7-18(2)8-12-23/h5-15,19-20H,16H2,1-4H3,(H,28,30)(H,27,29,31)/t19-,20+/m1/s1
InChIKeyXVDZQMNVYZYXEK-UXHICEINSA-N
XLogP4.19
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
CID 75871684
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
CID 46424518
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 7379498
(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
CID 129354694
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide?
The IUPAC name of (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide (CID 97352244) is (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2cc(CNC(=O)[C@@H](C)Oc3ccc(C)cc3)ccn2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide?
The InChIKey is XVDZQMNVYZYXEK-UXHICEINSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-17-5-9-22(10-6-17)32-19(3)25(30)28-16-21-13-14-27-24(15-21)29-26(31)20(4)33-23-11-7-18(2)8-12-23/h5-15,19-20H,16H2,1-4H3,(H,28,30)(H,27,29,31)/t19-,20+/m1/s1.
What are the key properties of (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide?
(2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide has a molecular weight of 447.54 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 97352244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).