4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide

C26H29N3O4 — CID 144765894

IUPAC4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCCc2ccccn2)cc1C
InChIInChI=1S/C26H29N3O4/c1-19-16-21(11-12-24(19)32-2)25(30)29-23(18-33-17-20-8-4-3-5-9-20)26(31)28-15-13-22-10-6-7-14-27-22/h3-12,14,16,23H,13,15,17-18H2,1-2H3,(H,28,31)(H,29,30)/t23-/m1/s1
InChIKeyLREVBZHURMRBBX-HSZRJFAPSA-N
MW447.54 g/mol
LogP3.07
Rot. Bonds11

About 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide

4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide (PubChem CID 144765894) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
PubChem CID144765894
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCCc2ccccn2)cc1C
InChIInChI=1S/C26H29N3O4/c1-19-16-21(11-12-24(19)32-2)25(30)29-23(18-33-17-20-8-4-3-5-9-20)26(31)28-15-13-22-10-6-7-14-27-22/h3-12,14,16,23H,13,15,17-18H2,1-2H3,(H,28,31)(H,29,30)/t23-/m1/s1
InChIKeyLREVBZHURMRBBX-HSZRJFAPSA-N
XLogP3.07
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide with MolForge

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Related Compounds

N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide
CID 144765851
4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 42695951
3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide
CID 144765905
benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate
CID 18108915
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
N-[(2S)-1-oxo-1-[[3-oxo-3-[4-[3-[[(2S)-3-phenylmethoxy-2-(pyridine-2-carbonylamino)propanoyl]amino]propanoylamino]anilino]propyl]amino]-3-phenylmethoxypropan-2-yl]pyridine-2-carboxamide
CID 101014066
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111032714
4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-4-oxo-4-phenylmethoxybutanoic acid;hydrochloride
CID 175958288
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide?
The IUPAC name of 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide (CID 144765894) is 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide is COc1ccc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCCc2ccccn2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide?
The InChIKey is LREVBZHURMRBBX-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-19-16-21(11-12-24(19)32-2)25(30)29-23(18-33-17-20-8-4-3-5-9-20)26(31)28-15-13-22-10-6-7-14-27-22/h3-12,14,16,23H,13,15,17-18H2,1-2H3,(H,28,31)(H,29,30)/t23-/m1/s1.
What are the key properties of 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide?
4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.07, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 144765894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).