N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide

C17H23N3O3 — CID 119640987

IUPACN-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
SMILESCCC(N)(CC)CNC(=O)CN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C17H23N3O3/c1-4-17(18,5-2)10-19-14(21)9-20-15(22)12-7-6-11(3)8-13(12)16(20)23/h6-8H,4-5,9-10,18H2,1-3H3,(H,19,21)
InChIKeyPFKHPRKQKLGTLX-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.22
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide

N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 119640987) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID119640987
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
SMILESCCC(N)(CC)CNC(=O)CN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C17H23N3O3/c1-4-17(18,5-2)10-19-14(21)9-20-15(22)12-7-6-11(3)8-13(12)16(20)23/h6-8H,4-5,9-10,18H2,1-3H3,(H,19,21)
InChIKeyPFKHPRKQKLGTLX-UHFFFAOYSA-N
XLogP1.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119234321
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 30847840
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 39710283
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-phenylsulfanylethyl)acetamide
CID 26444764
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60645311
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446180
N-(2-amino-2-ethylbutyl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119643056
3,3-dimethyl-N-[2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 170299020
(2S)-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]hexanoic acid
CID 120614308
2-[4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]-N-propylacetamide
CID 55376897
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide (CID 119640987) is N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide is CCC(N)(CC)CNC(=O)CN1C(=O)c2ccc(C)cc2C1=O.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is PFKHPRKQKLGTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-17(18,5-2)10-19-14(21)9-20-15(22)12-7-6-11(3)8-13(12)16(20)23/h6-8H,4-5,9-10,18H2,1-3H3,(H,19,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 119640987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).