(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide

C15H22N2O2 — CID 9274960

IUPAC(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)N1CCCC1
InChIInChI=1S/C15H22N2O2/c1-11-6-7-14(19-3)13(10-11)16-15(18)12(2)17-8-4-5-9-17/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyAJJCLIOWUFPZMK-LBPRGKRZSA-N
MW262.35 g/mol
LogP2.43
Rot. Bonds4

About (2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide

(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 9274960) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
PubChem CID9274960
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)N1CCCC1
InChIInChI=1S/C15H22N2O2/c1-11-6-7-14(19-3)13(10-11)16-15(18)12(2)17-8-4-5-9-17/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyAJJCLIOWUFPZMK-LBPRGKRZSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908046
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904868
ethyl 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631086
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9432648
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 110019793
N-(2-methoxy-5-methylphenyl)-2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 60523878
(2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724673
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446137
N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17447434
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495104

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide (CID 9274960) is (2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide is COc1ccc(C)cc1NC(=O)[C@H](C)N1CCCC1.
What is the InChIKey of (2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is AJJCLIOWUFPZMK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-7-14(19-3)13(10-11)16-15(18)12(2)17-8-4-5-9-17/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide?
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 9274960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).