N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide

C18H26N2O3 — CID 111480504

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H26N2O3/c1-13(21)11-18(2,3)12-19-17(23)14-6-8-15(9-7-14)20-10-4-5-16(20)22/h6-9,13,21H,4-5,10-12H2,1-3H3,(H,19,23)
InChIKeyDQYBYOIVKUEWKL-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.34
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 111480504) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID111480504
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H26N2O3/c1-13(21)11-18(2,3)12-19-17(23)14-6-8-15(9-7-14)20-10-4-5-16(20)22/h6-9,13,21H,4-5,10-12H2,1-3H3,(H,19,23)
InChIKeyDQYBYOIVKUEWKL-UHFFFAOYSA-N
XLogP2.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 47837776
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 9385017
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid
CID 119252803
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8751476

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 111480504) is N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide is CC(O)CC(C)(C)CNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DQYBYOIVKUEWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(21)11-18(2,3)12-19-17(23)14-6-8-15(9-7-14)20-10-4-5-16(20)22/h6-9,13,21H,4-5,10-12H2,1-3H3,(H,19,23).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 111480504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).