N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide

C26H43N3O3 — CID 3629370

IUPACN-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide
SMILESCCCCCCCCCCCC(=O)N(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(C)C
InChIInChI=1S/C26H43N3O3/c1-5-6-7-8-9-10-11-12-13-14-26(32)29(21(2)3)20-25(31)27-19-24(30)28-23-17-15-22(4)16-18-23/h15-18,21H,5-14,19-20H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyVKQRJSJBOGOCFA-UHFFFAOYSA-N
MW445.65 g/mol
LogP5.21
Rot. Bonds16

About N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide

N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide (PubChem CID 3629370) has the molecular formula C26H43N3O3 and a molecular weight of 445.65 g/mol. Its IUPAC name is N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide
PubChem CID3629370
Molecular FormulaC26H43N3O3
Molecular Weight445.65 g/mol
Exact Mass445.33
IUPAC NameN-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide
SMILESCCCCCCCCCCCC(=O)N(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(C)C
InChIInChI=1S/C26H43N3O3/c1-5-6-7-8-9-10-11-12-13-14-26(32)29(21(2)3)20-25(31)27-19-24(30)28-23-17-15-22(4)16-18-23/h15-18,21H,5-14,19-20H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyVKQRJSJBOGOCFA-UHFFFAOYSA-N
XLogP5.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 3488840
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)nonanamide
CID 3439279
2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 3569142
N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 3432157
2-chloro-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 3537468
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 3630731
3,5-difluoro-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4646553
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 5128444
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
3-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5087039
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 3430377

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide?
The IUPAC name of N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide (CID 3629370) is N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide.
What is the SMILES notation for N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide?
The canonical SMILES for N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide is CCCCCCCCCCCC(=O)N(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(C)C.
What is the InChIKey of N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide?
The InChIKey is VKQRJSJBOGOCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O3/c1-5-6-7-8-9-10-11-12-13-14-26(32)29(21(2)3)20-25(31)27-19-24(30)28-23-17-15-22(4)16-18-23/h15-18,21H,5-14,19-20H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide?
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide has a molecular weight of 445.65 g/mol, XLogP of 5.21, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide is sourced from PubChem (CID 3629370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).