N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide

C21H22N2O3 — CID 43025130

IUPACN-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-3-15(2)22(13-16-9-5-4-6-10-16)19(24)14-23-20(25)17-11-7-8-12-18(17)21(23)26/h4-12,15H,3,13-14H2,1-2H3
InChIKeyPNXDAGMDOLVZGC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds6

About N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide

N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 43025130) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID43025130
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-3-15(2)22(13-16-9-5-4-6-10-16)19(24)14-23-20(25)17-11-7-8-12-18(17)21(23)26/h4-12,15H,3,13-14H2,1-2H3
InChIKeyPNXDAGMDOLVZGC-UHFFFAOYSA-N
XLogP3.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-butan-2-yl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 43025124
benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 175156671
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide
CID 23260314
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16611716
2-[benzyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132718936
(2R)-2-[benzyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100646679
2-[benzyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-ethylbutanamide
CID 132668749
(2S)-2-[benzyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propylbutanamide
CID 100539992
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 42945913

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 43025130) is N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide is CCC(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is PNXDAGMDOLVZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-15(2)22(13-16-9-5-4-6-10-16)19(24)14-23-20(25)17-11-7-8-12-18(17)21(23)26/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 43025130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).