N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C16H22N2O3 — CID 32686719

IUPACN-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCOCCCNC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-21-11-3-9-17-16(20)14-7-5-13(6-8-14)12-18-10-2-4-15(18)19/h5-8H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyQWJBKPMFCWNXAS-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.58
Rot. Bonds7

About N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 32686719) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID32686719
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCOCCCNC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-21-11-3-9-17-16(20)14-7-5-13(6-8-14)12-18-10-2-4-15(18)19/h5-8H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyQWJBKPMFCWNXAS-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 51195842
N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9473518
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111404522
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 32686719) is N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is COCCCNC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is QWJBKPMFCWNXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-11-3-9-17-16(20)14-7-5-13(6-8-14)12-18-10-2-4-15(18)19/h5-8H,2-4,9-12H2,1H3,(H,17,20).
What are the key properties of N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 32686719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).