N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide

C28H31N3O4 — CID 4284142

IUPACN-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N3O4/c1-3-25(22-12-8-5-9-13-22)28(34)31(19-21-10-6-4-7-11-21)20-27(33)29-18-26(32)30-23-14-16-24(35-2)17-15-23/h4-17,25H,3,18-20H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyVYWQNTLKXLSLCV-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.97
Rot. Bonds11

About N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide

N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide (PubChem CID 4284142) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
PubChem CID4284142
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N3O4/c1-3-25(22-12-8-5-9-13-22)28(34)31(19-21-10-6-4-7-11-21)20-27(33)29-18-26(32)30-23-14-16-24(35-2)17-15-23/h4-17,25H,3,18-20H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyVYWQNTLKXLSLCV-UHFFFAOYSA-N
XLogP3.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4002372
2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 4991756
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4071473
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4190376
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 4071657
N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4624634
N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 4641506
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3904974
(2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide
CID 7337594
2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16610921

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide?
The IUPAC name of N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide (CID 4284142) is N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide.
What is the SMILES notation for N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide?
The canonical SMILES for N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide is CCC(C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide?
The InChIKey is VYWQNTLKXLSLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-3-25(22-12-8-5-9-13-22)28(34)31(19-21-10-6-4-7-11-21)20-27(33)29-18-26(32)30-23-14-16-24(35-2)17-15-23/h4-17,25H,3,18-20H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide?
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide has a molecular weight of 473.57 g/mol, XLogP of 3.97, 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]-2-phenylbutanamide is sourced from PubChem (CID 4284142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).