N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide

C30H29N3O3 — CID 55693376

IUPACN-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
SMILESCC(NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C30H29N3O3/c1-22(24-14-16-27(17-15-24)36-21-23-9-8-18-31-20-23)32-29(34)19-28(25-10-4-2-5-11-25)33-30(35)26-12-6-3-7-13-26/h2-18,20,22,28H,19,21H2,1H3,(H,32,34)(H,33,35)
InChIKeySTYBULDKZMOCCA-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.40
Rot. Bonds10

About N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide

N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide (PubChem CID 55693376) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
PubChem CID55693376
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
SMILESCC(NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C30H29N3O3/c1-22(24-14-16-27(17-15-24)36-21-23-9-8-18-31-20-23)32-29(34)19-28(25-10-4-2-5-11-25)33-30(35)26-12-6-3-7-13-26/h2-18,20,22,28H,19,21H2,1H3,(H,32,34)(H,33,35)
InChIKeySTYBULDKZMOCCA-UHFFFAOYSA-N
XLogP5.40
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 55707958
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 2452944
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46463730
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082928

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide?
The IUPAC name of N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide (CID 55693376) is N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide is CC(NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide?
The InChIKey is STYBULDKZMOCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-22(24-14-16-27(17-15-24)36-21-23-9-8-18-31-20-23)32-29(34)19-28(25-10-4-2-5-11-25)33-30(35)26-12-6-3-7-13-26/h2-18,20,22,28H,19,21H2,1H3,(H,32,34)(H,33,35).
What are the key properties of N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide?
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide has a molecular weight of 479.58 g/mol, XLogP of 5.40, 10 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-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide is sourced from PubChem (CID 55693376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).