N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride

C19H25ClN4O4 — CID 167877084

IUPACN-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride
SMILESCC(C)(CCN)NC(=O)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.Cl
InChIInChI=1S/C19H24N4O4.ClH/c1-19(2,8-9-20)22-16(25)11-4-3-5-12-13(11)10-23(18(12)27)14-6-7-15(24)21-17(14)26;/h3-5,14H,6-10,20H2,1-2H3,(H,22,25)(H,21,24,26);1H
InChIKeyDKCHNIAJAOHRRC-UHFFFAOYSA-N
MW408.89 g/mol
LogP0.73
Rot. Bonds5

About N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride

N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride (PubChem CID 167877084) has the molecular formula C19H25ClN4O4 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride
PubChem CID167877084
Molecular FormulaC19H25ClN4O4
Molecular Weight408.89 g/mol
Exact Mass408.16
IUPAC NameN-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride
SMILESCC(C)(CCN)NC(=O)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.Cl
InChIInChI=1S/C19H24N4O4.ClH/c1-19(2,8-9-20)22-16(25)11-4-3-5-12-13(11)10-23(18(12)27)14-6-7-15(24)21-17(14)26;/h3-5,14H,6-10,20H2,1-2H3,(H,22,25)(H,21,24,26);1H
InChIKeyDKCHNIAJAOHRRC-UHFFFAOYSA-N
XLogP0.73
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-N-(2-methylcyclopropyl)-1-oxo-3H-isoindole-4-carboxamide
CID 146149971
3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carbonyl]amino]butanoic acid
CID 166426077
N-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide
CID 166425924
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281
2-(2-aminoethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;hydrochloride
CID 155292321
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]acetamide
CID 154689467
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-fluorobenzamide
CID 154810838
3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 151618379
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylacetamide
CID 171491512
tert-butyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 130441784
3-[7-(aminomethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 69327564
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride (CID 167877084) is N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride is CC(C)(CCN)NC(=O)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.Cl.
What is the InChIKey of N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride?
The InChIKey is DKCHNIAJAOHRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4.ClH/c1-19(2,8-9-20)22-16(25)11-4-3-5-12-13(11)10-23(18(12)27)14-6-7-15(24)21-17(14)26;/h3-5,14H,6-10,20H2,1-2H3,(H,22,25)(H,21,24,26);1H.
What are the key properties of N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride?
N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride has a molecular weight of 408.89 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride is sourced from PubChem (CID 167877084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).