N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide

C28H25N3O3 — CID 46460902

IUPACN-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C28H25N3O3/c32-27(30-23-15-9-16-25(18-23)34-20-24-14-7-8-17-29-24)19-26(21-10-3-1-4-11-21)31-28(33)22-12-5-2-6-13-22/h1-18,26H,19-20H2,(H,30,32)(H,31,33)
InChIKeyGVLNZMOAPYIMHX-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.16
Rot. Bonds9

About N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide

N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide (PubChem CID 46460902) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide
PubChem CID46460902
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC NameN-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C28H25N3O3/c32-27(30-23-15-9-16-25(18-23)34-20-24-14-7-8-17-29-24)19-26(21-10-3-1-4-11-21)31-28(33)22-12-5-2-6-13-22/h1-18,26H,19-20H2,(H,30,32)(H,31,33)
InChIKeyGVLNZMOAPYIMHX-UHFFFAOYSA-N
XLogP5.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
(2S)-2-hydroxy-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 75514519
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968
N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55573209
N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 9210815
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
2-cyclohexyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38671683
benzyl N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethoxy)anilino]propan-2-yl]carbamate
CID 55653455
methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate
CID 46425036

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide?
The IUPAC name of N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide (CID 46460902) is N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(OCc2ccccn2)c1.
What is the InChIKey of N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide?
The InChIKey is GVLNZMOAPYIMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c32-27(30-23-15-9-16-25(18-23)34-20-24-14-7-8-17-29-24)19-26(21-10-3-1-4-11-21)31-28(33)22-12-5-2-6-13-22/h1-18,26H,19-20H2,(H,30,32)(H,31,33).
What are the key properties of N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide?
N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide has a molecular weight of 451.53 g/mol, XLogP of 5.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide is sourced from PubChem (CID 46460902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).