N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C17H23N3O3 — CID 134028900

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCN(C)Cc1ccc(CNC(=O)CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-19(2)12-14-5-3-13(4-6-14)11-18-15(21)9-10-20-16(22)7-8-17(20)23/h3-6H,7-12H2,1-2H3,(H,18,21)
InChIKeyNRWDGYJFLGZDSG-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.90
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 134028900) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID134028900
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCN(C)Cc1ccc(CNC(=O)CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-19(2)12-14-5-3-13(4-6-14)11-18-15(21)9-10-20-16(22)7-8-17(20)23/h3-6H,7-12H2,1-2H3,(H,18,21)
InChIKeyNRWDGYJFLGZDSG-UHFFFAOYSA-N
XLogP0.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.90
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

3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 51095858
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9036242
N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 78810655
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 134029589
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703369
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 31544067
N-[[4-(dimethylamino)phenyl]methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 51207782
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 78810663
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9305476
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide
CID 165403538
3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 75295671

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 134028900) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is CN(C)Cc1ccc(CNC(=O)CCN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is NRWDGYJFLGZDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19(2)12-14-5-3-13(4-6-14)11-18-15(21)9-10-20-16(22)7-8-17(20)23/h3-6H,7-12H2,1-2H3,(H,18,21).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 134028900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).