N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C16H21N3O3 — CID 119587577

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C)CC(CN)NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H21N3O3/c1-10(2)7-11(8-17)18-14(20)9-19-15(21)12-5-3-4-6-13(12)16(19)22/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,20)
InChIKeyYPUKUBWWRATGET-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.77
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 119587577) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID119587577
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C)CC(CN)NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H21N3O3/c1-10(2)7-11(8-17)18-14(20)9-19-15(21)12-5-3-4-6-13(12)16(19)22/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,20)
InChIKeyYPUKUBWWRATGET-UHFFFAOYSA-N
XLogP0.77
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.77
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

N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 119585948
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate
CID 19166860
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561
N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 119587832
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119588040
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 119587115
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9049482
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119586311
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 55690067

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 119587577) is N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is CC(C)CC(CN)NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is YPUKUBWWRATGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)7-11(8-17)18-14(20)9-19-15(21)12-5-3-4-6-13(12)16(19)22/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 119587577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).