N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide

C17H26N2O2 — CID 90291509

IUPACN-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
SMILESCOCCNC(=O)c1cc(CN2CCC[C@@H]2C)ccc1C
InChIInChI=1S/C17H26N2O2/c1-13-6-7-15(12-19-9-4-5-14(19)2)11-16(13)17(20)18-8-10-21-3/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyAAHNNSYHWFOAOM-AWEZNQCLSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide

N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide (PubChem CID 90291509) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
PubChem CID90291509
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
SMILESCOCCNC(=O)c1cc(CN2CCC[C@@H]2C)ccc1C
InChIInChI=1S/C17H26N2O2/c1-13-6-7-15(12-19-9-4-5-14(19)2)11-16(13)17(20)18-8-10-21-3/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyAAHNNSYHWFOAOM-AWEZNQCLSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
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

methyl 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide
CID 70846094
1-ethyl-3-(2-methoxyethyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110942852
2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 46476029
N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95131755
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[2-methoxyethyl(methyl)amino]-1,3-thiazole-4-carboxamide
CID 70956699
5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 59282776
2,4-difluoro-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55708339
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
N-[[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62580803
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56756459

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide (CID 90291509) is N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide is COCCNC(=O)c1cc(CN2CCC[C@@H]2C)ccc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide?
The InChIKey is AAHNNSYHWFOAOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-7-15(12-19-9-4-5-14(19)2)11-16(13)17(20)18-8-10-21-3/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide?
N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 90291509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).