(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide

C20H32N2O2 — CID 124830596

IUPAC(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide
SMILESC[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCCCOCCc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-16-10-11-17(2)22(16)18(3)20(23)21-13-7-14-24-15-12-19-8-5-4-6-9-19/h4-6,8-9,16-18H,7,10-15H2,1-3H3,(H,21,23)/t16-,17-,18-/m1/s1
InChIKeyDDKFHKOSNGPPCH-KZNAEPCWSA-N
MW332.49 g/mol
LogP3.01
Rot. Bonds9

About (2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide

(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide (PubChem CID 124830596) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide
PubChem CID124830596
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide
SMILESC[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCCCOCCc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-16-10-11-17(2)22(16)18(3)20(23)21-13-7-14-24-15-12-19-8-5-4-6-9-19/h4-6,8-9,16-18H,7,10-15H2,1-3H3,(H,21,23)/t16-,17-,18-/m1/s1
InChIKeyDDKFHKOSNGPPCH-KZNAEPCWSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.01
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-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide
CID 119293937
2-[3-(2-phenylethoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119181917
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
(1S,6S)-9-methyl-N-[3-(2-phenylethoxy)propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124776899
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
tert-butyl 4-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 55946757
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide
CID 52711041

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide?
The IUPAC name of (2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide (CID 124830596) is (2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide.
What is the SMILES notation for (2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide?
The canonical SMILES for (2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide is C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCCCOCCc1ccccc1.
What is the InChIKey of (2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide?
The InChIKey is DDKFHKOSNGPPCH-KZNAEPCWSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16-10-11-17(2)22(16)18(3)20(23)21-13-7-14-24-15-12-19-8-5-4-6-9-19/h4-6,8-9,16-18H,7,10-15H2,1-3H3,(H,21,23)/t16-,17-,18-/m1/s1.
What are the key properties of (2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide?
(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide has a molecular weight of 332.49 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide is sourced from PubChem (CID 124830596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).