(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide

C19H30N2O2 — CID 30386789

IUPAC(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCCC1
InChIInChI=1S/C19H30N2O2/c1-4-17(23-18-14-15(2)8-9-16(18)3)19(22)20-10-7-13-21-11-5-6-12-21/h8-9,14,17H,4-7,10-13H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyNRNOHBAAIHDXKG-QGZVFWFLSA-N
MW318.46 g/mol
LogP3.06
Rot. Bonds8

About (2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide

(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 30386789) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID30386789
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCCC1
InChIInChI=1S/C19H30N2O2/c1-4-17(23-18-14-15(2)8-9-16(18)3)19(22)20-10-7-13-21-11-5-6-12-21/h8-9,14,17H,4-7,10-13H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyNRNOHBAAIHDXKG-QGZVFWFLSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.06
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

(2S)-2-(2,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486474
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95706385
(2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide
CID 99948309
(2S)-2-(2,5-dimethylphenoxy)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
CID 125042983
(2R)-N-[3-(azepan-1-yl)propyl]-2-(3-methylphenoxy)butanamide
CID 30399469
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486249
(2S)-2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 92646509
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 92685617
2-(3-methylphenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393618
N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 133240165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide (CID 30386789) is (2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for (2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide is CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCCC1.
What is the InChIKey of (2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is NRNOHBAAIHDXKG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-17(23-18-14-15(2)8-9-16(18)3)19(22)20-10-7-13-21-11-5-6-12-21/h8-9,14,17H,4-7,10-13H2,1-3H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 318.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 30386789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).