N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide

C30H31N3O6 — CID 43819742

IUPACN-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1OC)N(Cc1ccccc1C)C(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C30H31N3O6/c1-5-24(29(36)31-23-15-14-21(38-3)16-26(23)39-4)32(17-20-11-7-6-10-19(20)2)27(34)18-33-25-13-9-8-12-22(25)28(35)30(33)37/h6-16,24H,5,17-18H2,1-4H3,(H,31,36)
InChIKeyNEKGOZXLAMTMPQ-UHFFFAOYSA-N
MW529.59 g/mol
LogP3.99
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide

N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide (PubChem CID 43819742) has the molecular formula C30H31N3O6 and a molecular weight of 529.59 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
PubChem CID43819742
Molecular FormulaC30H31N3O6
Molecular Weight529.59 g/mol
Exact Mass529.22
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1OC)N(Cc1ccccc1C)C(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C30H31N3O6/c1-5-24(29(36)31-23-15-14-21(38-3)16-26(23)39-4)32(17-20-11-7-6-10-19(20)2)27(34)18-33-25-13-9-8-12-22(25)28(35)30(33)37/h6-16,24H,5,17-18H2,1-4H3,(H,31,36)
InChIKeyNEKGOZXLAMTMPQ-UHFFFAOYSA-N
XLogP3.99
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.59
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 2717855
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide
CID 43819769
2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 43819709
N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide
CID 2717851
2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)butanamide
CID 4128731
2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
CID 43819786
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-3-methylbutanamide
CID 43819873
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide
CID 43819740
(2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 2717853
(2S)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 2717852
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-methylbutanamide
CID 43819725
2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-methylbutanamide
CID 43819463

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide (CID 43819742) is N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide is CCC(C(=O)Nc1ccc(OC)cc1OC)N(Cc1ccccc1C)C(=O)CN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The InChIKey is NEKGOZXLAMTMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O6/c1-5-24(29(36)31-23-15-14-21(38-3)16-26(23)39-4)32(17-20-11-7-6-10-19(20)2)27(34)18-33-25-13-9-8-12-22(25)28(35)30(33)37/h6-16,24H,5,17-18H2,1-4H3,(H,31,36).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide has a molecular weight of 529.59 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 43819742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).