N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

C27H26N2O3 — CID 27770580

IUPACN-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)NCC(c1ccccc1)c1ccccc1)C2=O
InChIInChI=1S/C27H26N2O3/c1-19-14-15-22-23(17-19)27(32)29(26(22)31)16-8-13-25(30)28-18-24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,17,24H,8,13,16,18H2,1H3,(H,28,30)
InChIKeyHDHQGFRSRGXKDJ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.32
Rot. Bonds8

About N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 27770580) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
PubChem CID27770580
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC NameN-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)NCC(c1ccccc1)c1ccccc1)C2=O
InChIInChI=1S/C27H26N2O3/c1-19-14-15-22-23(17-19)27(32)29(26(22)31)16-8-13-25(30)28-18-24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,17,24H,8,13,16,18H2,1H3,(H,28,30)
InChIKeyHDHQGFRSRGXKDJ-UHFFFAOYSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 51265030
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27230477
N-(3-benzylsulfonylpropyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55841426
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
CID 46475036
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
CID 51266037
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 46512738
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide
CID 97006967
N-[(3,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55577207
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78866341
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (CID 27770580) is N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCC(c1ccccc1)c1ccccc1)C2=O.
What is the InChIKey of N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is HDHQGFRSRGXKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-19-14-15-22-23(17-19)27(32)29(26(22)31)16-8-13-25(30)28-18-24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,17,24H,8,13,16,18H2,1H3,(H,28,30).
What are the key properties of N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 426.52 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 27770580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).