N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide

C23H28N2O2 — CID 95592222

IUPACN-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C23H28N2O2/c1-4-20(18-9-6-5-7-10-18)22-11-8-14-25(22)23(27)19-13-12-16(2)21(15-19)24-17(3)26/h5-7,9-10,12-13,15,20,22H,4,8,11,14H2,1-3H3,(H,24,26)/t20-,22-/m1/s1
InChIKeyOIOIIDGGHNRQAP-IFMALSPDSA-N
MW364.49 g/mol
LogP4.75
Rot. Bonds5

About N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide

N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide (PubChem CID 95592222) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
PubChem CID95592222
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C23H28N2O2/c1-4-20(18-9-6-5-7-10-18)22-11-8-14-25(22)23(27)19-13-12-16(2)21(15-19)24-17(3)26/h5-7,9-10,12-13,15,20,22H,4,8,11,14H2,1-3H3,(H,24,26)/t20-,22-/m1/s1
InChIKeyOIOIIDGGHNRQAP-IFMALSPDSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800405
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234
N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
CID 95592185
(3-methoxyphenyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592187
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 95592243
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465
N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide
CID 97240619
(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800413
(4-bromo-1H-pyrrol-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 97025872
N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
CID 95592208

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide (CID 95592222) is N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide is CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C)c(NC(C)=O)c1.
What is the InChIKey of N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The InChIKey is OIOIIDGGHNRQAP-IFMALSPDSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-20(18-9-6-5-7-10-18)22-11-8-14-25(22)23(27)19-13-12-16(2)21(15-19)24-17(3)26/h5-7,9-10,12-13,15,20,22H,4,8,11,14H2,1-3H3,(H,24,26)/t20-,22-/m1/s1.
What are the key properties of N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 95592222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).