(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide

C18H28N2O2 — CID 95706385

IUPAC(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCc1ccc(C)c(O[C@@H](C)C(=O)NCCCN2CCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-14-7-8-15(2)17(13-14)22-16(3)18(21)19-9-6-12-20-10-4-5-11-20/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyDTYONTMSCHVAAX-INIZCTEOSA-N
MW304.43 g/mol
LogP2.67
Rot. Bonds7

About (2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide

(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 95706385) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID95706385
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCc1ccc(C)c(O[C@@H](C)C(=O)NCCCN2CCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-14-7-8-15(2)17(13-14)22-16(3)18(21)19-9-6-12-20-10-4-5-11-20/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyDTYONTMSCHVAAX-INIZCTEOSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.67
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

(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972762
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
2-(2-bromo-4-methylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391338
(2S)-2-(2-chloro-5-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 52515244
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486474
N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162658
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448453
(2R)-2-(2,5-dimethylphenoxy)-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide
CID 51868113
(2S)-2-(3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972774
2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132655449

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide (CID 95706385) is (2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide is Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCN2CCCC2)c1.
What is the InChIKey of (2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is DTYONTMSCHVAAX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-7-8-15(2)17(13-14)22-16(3)18(21)19-9-6-12-20-10-4-5-11-20/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 95706385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).