N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

C16H21N3O3 — CID 119587154

IUPACN-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H21N3O3/c1-9(2)6-11(8-17)18-14(20)10-4-5-12-13(7-10)16(22)19(3)15(12)21/h4-5,7,9,11H,6,8,17H2,1-3H3,(H,18,20)
InChIKeyKIXHDJYBCNQEPD-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.02
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 119587154) 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-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID119587154
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H21N3O3/c1-9(2)6-11(8-17)18-14(20)10-4-5-12-13(7-10)16(22)19(3)15(12)21/h4-5,7,9,11H,6,8,17H2,1-3H3,(H,18,20)
InChIKeyKIXHDJYBCNQEPD-UHFFFAOYSA-N
XLogP1.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.02
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-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119588040
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
N-(1-amino-4-methylpentan-2-yl)-1H-indazole-6-carboxamide
CID 63888929
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
CID 51157933
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 119587154) is N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is CC(C)CC(CN)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is KIXHDJYBCNQEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-9(2)6-11(8-17)18-14(20)10-4-5-12-13(7-10)16(22)19(3)15(12)21/h4-5,7,9,11H,6,8,17H2,1-3H3,(H,18,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.02, 5 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-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 119587154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).