N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C17H21N3O4 — CID 120944416

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)NCC1CNCC1O)C2=O
InChIInChI=1S/C17H21N3O4/c1-9-3-4-12-13(5-9)17(24)20(16(12)23)10(2)15(22)19-7-11-6-18-8-14(11)21/h3-5,10-11,14,18,21H,6-8H2,1-2H3,(H,19,22)
InChIKeyDICREJMOKYRZFA-UHFFFAOYSA-N
MW331.37 g/mol
LogP-0.32
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 120944416) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID120944416
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)NCC1CNCC1O)C2=O
InChIInChI=1S/C17H21N3O4/c1-9-3-4-12-13(5-9)17(24)20(16(12)23)10(2)15(22)19-7-11-6-18-8-14(11)21/h3-5,10-11,14,18,21H,6-8H2,1-2H3,(H,19,22)
InChIKeyDICREJMOKYRZFA-UHFFFAOYSA-N
XLogP-0.32
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-0.32
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-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119535468
N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119995908
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120947256
N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119528388
N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120509037
2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid
CID 119346595
2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945499
trans-(1S,2R)-2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108755781
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349799
2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120949038
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 120944416) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(C(C)C(=O)NCC1CNCC1O)C2=O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is DICREJMOKYRZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-9-3-4-12-13(5-9)17(24)20(16(12)23)10(2)15(22)19-7-11-6-18-8-14(11)21/h3-5,10-11,14,18,21H,6-8H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 331.37 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 120944416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).