N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide

C23H37N3O4 — CID 4167862

IUPACN-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
SMILESCCCCCCCC(=O)N(CCCC)CC(=O)NCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C23H37N3O4/c1-4-6-8-9-10-11-23(29)26(16-7-5-2)18-22(28)24-17-21(27)25-19-12-14-20(30-3)15-13-19/h12-15H,4-11,16-18H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyLOKYCAFCTADCPO-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.74
Rot. Bonds15

About N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide

N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide (PubChem CID 4167862) has the molecular formula C23H37N3O4 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide.

Molecular Properties

Compound NameN-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
PubChem CID4167862
Molecular FormulaC23H37N3O4
Molecular Weight419.57 g/mol
Exact Mass419.28
IUPAC NameN-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
SMILESCCCCCCCC(=O)N(CCCC)CC(=O)NCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C23H37N3O4/c1-4-6-8-9-10-11-23(29)26(16-7-5-2)18-22(28)24-17-21(27)25-19-12-14-20(30-3)15-13-19/h12-15H,4-11,16-18H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyLOKYCAFCTADCPO-UHFFFAOYSA-N
XLogP3.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5087215
methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
CID 3689635
N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 3432157
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916
4-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4051876
N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 4641506
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)nonanamide
CID 3439279
methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
CID 3592117
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
CID 4109656
3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113115841

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide?
The IUPAC name of N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide (CID 4167862) is N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide.
What is the SMILES notation for N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide?
The canonical SMILES for N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide is CCCCCCCC(=O)N(CCCC)CC(=O)NCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide?
The InChIKey is LOKYCAFCTADCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4/c1-4-6-8-9-10-11-23(29)26(16-7-5-2)18-22(28)24-17-21(27)25-19-12-14-20(30-3)15-13-19/h12-15H,4-11,16-18H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide?
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide has a molecular weight of 419.57 g/mol, XLogP of 3.74, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide is sourced from PubChem (CID 4167862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).