N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

C16H21N3O3 — CID 78773962

IUPACN-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H21N3O3/c1-4-19(5-2)9-8-17-14(20)11-6-7-12-13(10-11)16(22)18(3)15(12)21/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)
InChIKeyNPMIMJGQISODOU-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.98
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 78773962) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID78773962
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H21N3O3/c1-4-19(5-2)9-8-17-14(20)11-6-7-12-13(10-11)16(22)18(3)15(12)21/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)
InChIKeyNPMIMJGQISODOU-UHFFFAOYSA-N
XLogP0.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
2-methyl-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 46679809
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46679781
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119628263
N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119641849
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 120827153
2-methyl-N-[[5-[[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]-3,6-dioxopiperazin-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211204
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 16645408

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 78773962) is N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is CCN(CC)CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is NPMIMJGQISODOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-19(5-2)9-8-17-14(20)11-6-7-12-13(10-11)16(22)18(3)15(12)21/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 78773962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).