N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide

C22H31N5O4 — CID 66589503

IUPACN-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)NC(=O)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C22H31N5O4/c1-3-26(4-2)11-5-10-23-22(31)25-20(29)15-6-7-16-13-27(14-17(16)12-15)18-8-9-19(28)24-21(18)30/h6-7,12,18H,3-5,8-11,13-14H2,1-2H3,(H,24,28,30)(H2,23,25,29,31)
InChIKeyCOJPFAFUIWADDS-UHFFFAOYSA-N
MW429.52 g/mol
LogP0.98
Rot. Bonds8

About N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide

N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide (PubChem CID 66589503) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
PubChem CID66589503
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC NameN-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)NC(=O)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C22H31N5O4/c1-3-26(4-2)11-5-10-23-22(31)25-20(29)15-6-7-16-13-27(14-17(16)12-15)18-8-9-19(28)24-21(18)30/h6-7,12,18H,3-5,8-11,13-14H2,1-2H3,(H,24,28,30)(H2,23,25,29,31)
InChIKeyCOJPFAFUIWADDS-UHFFFAOYSA-N
XLogP0.98
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023299
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023304
2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide
CID 67023167
N-[(2,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023326
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023218
2-(2,6-dioxopiperidin-3-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]carbamothioyl]-1,3-dihydroisoindole-5-carboxamide
CID 87240350
N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide
CID 134536902
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023236
2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229967
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]butanoic acid
CID 166425977
3-[5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158027

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide (CID 66589503) is N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide is CCN(CC)CCCNC(=O)NC(=O)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2.
What is the InChIKey of N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is COJPFAFUIWADDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-3-26(4-2)11-5-10-23-22(31)25-20(29)15-6-7-16-13-27(14-17(16)12-15)18-8-9-19(28)24-21(18)30/h6-7,12,18H,3-5,8-11,13-14H2,1-2H3,(H,24,28,30)(H2,23,25,29,31).
What are the key properties of N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 66589503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).