N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide

C20H31N3O5 — CID 5087215

IUPACN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
SMILESCCCCC(=O)N(CCCOC)CC(=O)NCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C20H31N3O5/c1-4-5-7-20(26)23(12-6-13-27-2)15-19(25)21-14-18(24)22-16-8-10-17(28-3)11-9-16/h8-11H,4-7,12-15H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJEJVEMDSEGKOHQ-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.81
Rot. Bonds13

About N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide

N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide (PubChem CID 5087215) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
PubChem CID5087215
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC NameN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
SMILESCCCCC(=O)N(CCCOC)CC(=O)NCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C20H31N3O5/c1-4-5-7-20(26)23(12-6-13-27-2)15-19(25)21-14-18(24)22-16-8-10-17(28-3)11-9-16/h8-11H,4-7,12-15H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJEJVEMDSEGKOHQ-UHFFFAOYSA-N
XLogP1.81
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862
4-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4051876
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,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055
2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 4603639
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 4625550
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
2-ethyl-N-(3-methoxypropyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 4555666
4-butoxy-N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3405435
N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 4641506

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide?
The IUPAC name of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide (CID 5087215) is N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide.
What is the SMILES notation for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide?
The canonical SMILES for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide is CCCCC(=O)N(CCCOC)CC(=O)NCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide?
The InChIKey is JEJVEMDSEGKOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-4-5-7-20(26)23(12-6-13-27-2)15-19(25)21-14-18(24)22-16-8-10-17(28-3)11-9-16/h8-11H,4-7,12-15H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide?
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide has a molecular weight of 393.48 g/mol, XLogP of 1.81, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide is sourced from PubChem (CID 5087215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).