N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide

C14H17N3O3 — CID 60961200

IUPACN,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
SMILESCN(C)C(=O)CCNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C14H17N3O3/c1-16(2)12(18)6-7-15-9-4-5-10-11(8-9)14(20)17(3)13(10)19/h4-5,8,15H,6-7H2,1-3H3
InChIKeyDTRWDHBVTHFRSH-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.80
Rot. Bonds4

About N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide

N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide (PubChem CID 60961200) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
PubChem CID60961200
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
SMILESCN(C)C(=O)CCNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C14H17N3O3/c1-16(2)12(18)6-7-15-9-4-5-10-11(8-9)14(20)17(3)13(10)19/h4-5,8,15H,6-7H2,1-3H3
InChIKeyDTRWDHBVTHFRSH-UHFFFAOYSA-N
XLogP0.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.80
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

N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide
CID 103604422
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
CID 28897269
5-(butylamino)-2-methylisoindole-1,3-dione
CID 14911570
5-(heptylamino)-2-methylisoindole-1,3-dione
CID 14911571
N'-hydroxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]butanimidamide
CID 77026815
2-methyl-5-(4,4,4-trifluorobutylamino)isoindole-1,3-dione
CID 115513437
5-(3-methoxypropylamino)-2-methylisoindole-1,3-dione
CID 54936023
2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]isoindole-1,3-dione
CID 61492358
2-methyl-5-(2-propylsulfonylethylamino)isoindole-1,3-dione
CID 106722966
3-(4-acetamidoanilino)-N,N-dimethylpropanamide
CID 54879243
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
3-anilino-N,N-dimethylpropanamide
CID 60961994

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide (CID 60961200) is N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide is CN(C)C(=O)CCNc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide?
The InChIKey is DTRWDHBVTHFRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16(2)12(18)6-7-15-9-4-5-10-11(8-9)14(20)17(3)13(10)19/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide?
N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide has a molecular weight of 275.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide is sourced from PubChem (CID 60961200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).