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

C18H26N2O3 — CID 110002431

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C18H26N2O3/c1-3-18(2,10-12-21)19-17(23)15-8-6-14(7-9-15)13-20-11-4-5-16(20)22/h6-9,21H,3-5,10-13H2,1-2H3,(H,19,23)
InChIKeyVJUXYPZXXMIOFF-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.09
Rot. Bonds7

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

N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 110002431) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID110002431
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C18H26N2O3/c1-3-18(2,10-12-21)19-17(23)15-8-6-14(7-9-15)13-20-11-4-5-16(20)22/h6-9,21H,3-5,10-13H2,1-2H3,(H,19,23)
InChIKeyVJUXYPZXXMIOFF-UHFFFAOYSA-N
XLogP2.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375
4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002142
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
N-cyclopropyl-N-ethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86922752
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 110002431) is N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CCC(C)(CCO)NC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is VJUXYPZXXMIOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-18(2,10-12-21)19-17(23)15-8-6-14(7-9-15)13-20-11-4-5-16(20)22/h6-9,21H,3-5,10-13H2,1-2H3,(H,19,23).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 110002431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).