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

C18H27N3O3 — CID 3569142

IUPAC2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(C(=O)C(C)C)C(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-12(2)18(24)21(13(3)4)11-17(23)19-10-16(22)20-15-8-6-14(5)7-9-15/h6-9,12-13H,10-11H2,1-5H3,(H,19,23)(H,20,22)
InChIKeyRKYDDSDDXAZGML-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.94
Rot. Bonds7

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

2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide (PubChem CID 3569142) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
PubChem CID3569142
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(C(=O)C(C)C)C(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-12(2)18(24)21(13(3)4)11-17(23)19-10-16(22)20-15-8-6-14(5)7-9-15/h6-9,12-13H,10-11H2,1-5H3,(H,19,23)(H,20,22)
InChIKeyRKYDDSDDXAZGML-UHFFFAOYSA-N
XLogP1.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-yldodecanamide
CID 3629370
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 5128444
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-propan-2-ylnaphthalene-1-carboxamide
CID 3430377
(2S)-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 7406072
3-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5087039
2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 3714711
3-[[2-(4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840513
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide (CID 3569142) is 2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide is Cc1ccc(NC(=O)CNC(=O)CN(C(=O)C(C)C)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
The InChIKey is RKYDDSDDXAZGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(2)18(24)21(13(3)4)11-17(23)19-10-16(22)20-15-8-6-14(5)7-9-15/h6-9,12-13H,10-11H2,1-5H3,(H,19,23)(H,20,22).
What are the key properties of 2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide has a molecular weight of 333.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 3569142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).