1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide

C20H30N2O3 — CID 111697394

IUPAC1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCCC(CCO)CNC(=O)C1CCN(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C20H30N2O3/c1-4-5-16(7-9-23)13-21-19(24)18-6-8-22(20(18)25)17-11-14(2)10-15(3)12-17/h10-12,16,18,23H,4-9,13H2,1-3H3,(H,21,24)
InChIKeyNBZWEUAJFSHPMN-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.57
Rot. Bonds8

About 1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide

1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 111697394) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID111697394
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCCC(CCO)CNC(=O)C1CCN(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C20H30N2O3/c1-4-5-16(7-9-23)13-21-19(24)18-6-8-22(20(18)25)17-11-14(2)10-15(3)12-17/h10-12,16,18,23H,4-9,13H2,1-3H3,(H,21,24)
InChIKeyNBZWEUAJFSHPMN-UHFFFAOYSA-N
XLogP2.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119628688
(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
CID 94506053
N-[2-(dimethylamino)ethyl]-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744155
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
CID 99602181
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615757
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46048617
1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119462684
N-(2-aminoethyl)-1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119481119
1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402342

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide (CID 111697394) is 1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide is CCCC(CCO)CNC(=O)C1CCN(c2cc(C)cc(C)c2)C1=O.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is NBZWEUAJFSHPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-5-16(7-9-23)13-21-19(24)18-6-8-22(20(18)25)17-11-14(2)10-15(3)12-17/h10-12,16,18,23H,4-9,13H2,1-3H3,(H,21,24).
What are the key properties of 1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide?
1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 111697394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).