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

C22H35N3O3 — CID 3488840

IUPACN-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
SMILESCCCCCCCC(=O)N(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(C)C
InChIInChI=1S/C22H35N3O3/c1-5-6-7-8-9-10-22(28)25(17(2)3)16-21(27)23-15-20(26)24-19-13-11-18(4)12-14-19/h11-14,17H,5-10,15-16H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyZXEGZFPOJRYRFD-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.65
Rot. Bonds12

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

N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide (PubChem CID 3488840) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
PubChem CID3488840
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
SMILESCCCCCCCC(=O)N(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(C)C
InChIInChI=1S/C22H35N3O3/c1-5-6-7-8-9-10-22(28)25(17(2)3)16-21(27)23-15-20(26)24-19-13-11-18(4)12-14-19/h11-14,17H,5-10,15-16H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyZXEGZFPOJRYRFD-UHFFFAOYSA-N
XLogP3.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.65
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-yldodecanamide
CID 3629370
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-yloctanamide?
The IUPAC name of N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide (CID 3488840) is N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide.
What is the SMILES notation for N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide?
The canonical SMILES for N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide is CCCCCCCC(=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-yloctanamide?
The InChIKey is ZXEGZFPOJRYRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-5-6-7-8-9-10-22(28)25(17(2)3)16-21(27)23-15-20(26)24-19-13-11-18(4)12-14-19/h11-14,17H,5-10,15-16H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide?
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide has a molecular weight of 389.54 g/mol, XLogP of 3.65, 12 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-yloctanamide is sourced from PubChem (CID 3488840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).