N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide

C22H34N2O3 — CID 95895767

IUPACN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
SMILESCN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C22H34N2O3/c1-21(2,3)24-15-17(13-19(24)25)14-23(6)20(26)18-9-7-8-16(12-18)10-11-22(4,5)27/h7-9,12,17,27H,10-11,13-15H2,1-6H3/t17-/m0/s1
InChIKeyFHQFTBWFTLLFOZ-KRWDZBQOSA-N
MW374.53 g/mol
LogP3.11
Rot. Bonds6

About N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide

N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide (PubChem CID 95895767) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
PubChem CID95895767
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
SMILESCN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C22H34N2O3/c1-21(2,3)24-15-17(13-19(24)25)14-23(6)20(26)18-9-7-8-16(12-18)10-11-22(4,5)27/h7-9,12,17,27H,10-11,13-15H2,1-6H3/t17-/m0/s1
InChIKeyFHQFTBWFTLLFOZ-KRWDZBQOSA-N
XLogP3.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 29213987
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide
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N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide
CID 56884216
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
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N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 95862431
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 72871834
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95885487
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 70715084
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 70786055
[(3S,4S)-4-(dimethylamino)-3-hydroxypiperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70743047
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
CID 70732520
3-(3-hydroxy-3-methylbutyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide?
The IUPAC name of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide (CID 95895767) is N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide.
What is the SMILES notation for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide?
The canonical SMILES for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide is CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide?
The InChIKey is FHQFTBWFTLLFOZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-21(2,3)24-15-17(13-19(24)25)14-23(6)20(26)18-9-7-8-16(12-18)10-11-22(4,5)27/h7-9,12,17,27H,10-11,13-15H2,1-6H3/t17-/m0/s1.
What are the key properties of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide?
N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide has a molecular weight of 374.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide is sourced from PubChem (CID 95895767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).