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

C20H25N3O3 — CID 78775630

IUPAC2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)NC(C)c1ccncc1)C(C)C
InChIInChI=1S/C20H25N3O3/c1-13(2)18(20(25)22-14(3)15-9-11-21-12-10-15)23-19(24)16-7-5-6-8-17(16)26-4/h5-14,18H,1-4H3,(H,22,25)(H,23,24)
InChIKeyQUOTYDHZJCKIDX-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.72
Rot. Bonds7

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

2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide (PubChem CID 78775630) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
PubChem CID78775630
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)NC(C)c1ccncc1)C(C)C
InChIInChI=1S/C20H25N3O3/c1-13(2)18(20(25)22-14(3)15-9-11-21-12-10-15)23-19(24)16-7-5-6-8-17(16)26-4/h5-14,18H,1-4H3,(H,22,25)(H,23,24)
InChIKeyQUOTYDHZJCKIDX-UHFFFAOYSA-N
XLogP2.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
CID 18145573
N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide
CID 78775760
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29204396
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
2-chloro-N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55653743
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107207961

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide (CID 78775630) is 2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide is COc1ccccc1C(=O)NC(C(=O)NC(C)c1ccncc1)C(C)C.
What is the InChIKey of 2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide?
The InChIKey is QUOTYDHZJCKIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)18(20(25)22-14(3)15-9-11-21-12-10-15)23-19(24)16-7-5-6-8-17(16)26-4/h5-14,18H,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide?
2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 78775630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).