N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide

C24H32N4O3 — CID 151676294

IUPACN-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide
SMILESCCC(=O)CCCCCC(CNc1cccnc1)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C24H32N4O3/c1-2-22(29)14-8-4-7-12-21(17-26-20-13-9-15-25-16-20)28-23(30)18-27-24(31)19-10-5-3-6-11-19/h3,5-6,9-11,13,15-16,21,26H,2,4,7-8,12,14,17-18H2,1H3,(H,27,31)(H,28,30)
InChIKeySSFIHKPPNWDCRF-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.34
Rot. Bonds14

About N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide

N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide (PubChem CID 151676294) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide
PubChem CID151676294
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide
SMILESCCC(=O)CCCCCC(CNc1cccnc1)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C24H32N4O3/c1-2-22(29)14-8-4-7-12-21(17-26-20-13-9-15-25-16-20)28-23(30)18-27-24(31)19-10-5-3-6-11-19/h3,5-6,9-11,13,15-16,21,26H,2,4,7-8,12,14,17-18H2,1H3,(H,27,31)(H,28,30)
InChIKeySSFIHKPPNWDCRF-UHFFFAOYSA-N
XLogP3.34
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(2S)-1-(3-acetylanilino)-1,8-dioxodecan-2-yl]amino]-2-oxoethyl]benzamide
CID 69318533
(2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide
CID 69323988
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
CID 39761141
N-[2-[[1,8-dioxo-1-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]decan-2-yl]amino]-2-oxoethyl]benzamide
CID 69328169
N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide
CID 65191645
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759
N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
CID 69101909
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide (CID 151676294) is N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide is CCC(=O)CCCCCC(CNc1cccnc1)NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide?
The InChIKey is SSFIHKPPNWDCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-2-22(29)14-8-4-7-12-21(17-26-20-13-9-15-25-16-20)28-23(30)18-27-24(31)19-10-5-3-6-11-19/h3,5-6,9-11,13,15-16,21,26H,2,4,7-8,12,14,17-18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide?
N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide has a molecular weight of 424.55 g/mol, XLogP of 3.34, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 151676294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).