N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide

C27H37N3O4 — CID 4071657

IUPACN-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)CC(C)CC(C)(C)C)cc1
InChIInChI=1S/C27H37N3O4/c1-20(16-27(2,3)4)15-26(33)30(18-21-9-7-6-8-10-21)19-25(32)28-17-24(31)29-22-11-13-23(34-5)14-12-22/h6-14,20H,15-19H2,1-5H3,(H,28,32)(H,29,31)
InChIKeyGEXCWQOPMKEZOR-UHFFFAOYSA-N
MW467.61 g/mol
LogP4.24
Rot. Bonds11

About N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide

N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide (PubChem CID 4071657) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
PubChem CID4071657
Molecular FormulaC27H37N3O4
Molecular Weight467.61 g/mol
Exact Mass467.28
IUPAC NameN-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)CC(C)CC(C)(C)C)cc1
InChIInChI=1S/C27H37N3O4/c1-20(16-27(2,3)4)15-26(33)30(18-21-9-7-6-8-10-21)19-25(32)28-17-24(31)29-22-11-13-23(34-5)14-12-22/h6-14,20H,15-19H2,1-5H3,(H,28,32)(H,29,31)
InChIKeyGEXCWQOPMKEZOR-UHFFFAOYSA-N
XLogP4.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
CID 4109656
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4284142
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4071473
N-[(4-fluorophenyl)methyl]-3,5,5-trimethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 4238055
N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4624634
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055
N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 4064620
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3904974
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3498631
2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 5067624
N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 4615707
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 4071656

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide?
The IUPAC name of N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide (CID 4071657) is N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide?
The canonical SMILES for N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide is COc1ccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)CC(C)CC(C)(C)C)cc1.
What is the InChIKey of N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide?
The InChIKey is GEXCWQOPMKEZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4/c1-20(16-27(2,3)4)15-26(33)30(18-21-9-7-6-8-10-21)19-25(32)28-17-24(31)29-22-11-13-23(34-5)14-12-22/h6-14,20H,15-19H2,1-5H3,(H,28,32)(H,29,31).
What are the key properties of N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide?
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide has a molecular weight of 467.61 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 4071657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).