N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide

C27H30N2O4 — CID 143062081

IUPACN-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCCC(=O)c2cccc(Oc3ccncc3)c2)cc1
InChIInChI=1S/C27H30N2O4/c1-2-3-4-19-32-23-12-10-21(11-13-23)27(31)29-16-6-9-26(30)22-7-5-8-25(20-22)33-24-14-17-28-18-15-24/h5,7-8,10-15,17-18,20H,2-4,6,9,16,19H2,1H3,(H,29,31)
InChIKeyLNDIJIURHLWXAC-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.84
Rot. Bonds13

About N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide

N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide (PubChem CID 143062081) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide
PubChem CID143062081
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCCC(=O)c2cccc(Oc3ccncc3)c2)cc1
InChIInChI=1S/C27H30N2O4/c1-2-3-4-19-32-23-12-10-21(11-13-23)27(31)29-16-6-9-26(30)22-7-5-8-25(20-22)33-24-14-17-28-18-15-24/h5,7-8,10-15,17-18,20H,2-4,6,9,16,19H2,1H3,(H,29,31)
InChIKeyLNDIJIURHLWXAC-UHFFFAOYSA-N
XLogP5.84
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119429876
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
N-butyl-3-[(4-heptoxybenzoyl)amino]benzamide
CID 17196990
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757
3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17222708
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
N-butyl-4-propoxybenzamide
CID 17142951
N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide
CID 143062034
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-hexyl-3-pyridin-2-yloxybenzamide
CID 90596510
N-octyl-3-pyridin-2-yloxybenzamide
CID 90596511

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide?
The IUPAC name of N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide (CID 143062081) is N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide?
The canonical SMILES for N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)NCCCC(=O)c2cccc(Oc3ccncc3)c2)cc1.
What is the InChIKey of N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide?
The InChIKey is LNDIJIURHLWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-2-3-4-19-32-23-12-10-21(11-13-23)27(31)29-16-6-9-26(30)22-7-5-8-25(20-22)33-24-14-17-28-18-15-24/h5,7-8,10-15,17-18,20H,2-4,6,9,16,19H2,1H3,(H,29,31).
What are the key properties of N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide?
N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide has a molecular weight of 446.55 g/mol, XLogP of 5.84, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide is sourced from PubChem (CID 143062081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).