N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide

C18H26N2O2 — CID 95592185

IUPACN-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
SMILESCC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNC(C)=O
InChIInChI=1S/C18H26N2O2/c1-3-16(15-8-5-4-6-9-15)17-10-7-13-20(17)18(22)11-12-19-14(2)21/h4-6,8-9,16-17H,3,7,10-13H2,1-2H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyYVCFDRXKRMMPLN-DLBZAZTESA-N
MW302.42 g/mol
LogP2.70
Rot. Bonds6

About N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide

N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide (PubChem CID 95592185) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
PubChem CID95592185
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
SMILESCC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNC(C)=O
InChIInChI=1S/C18H26N2O2/c1-3-16(15-8-5-4-6-9-15)17-10-7-13-20(17)18(22)11-12-19-14(2)21/h4-6,8-9,16-17H,3,7,10-13H2,1-2H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyYVCFDRXKRMMPLN-DLBZAZTESA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[3-oxo-3-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]propyl]benzamide
CID 95592178
N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
CID 95592208
3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95300829
N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95592222
4-amino-3-methoxy-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]butan-1-one
CID 120590724
4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide
CID 56800435
3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
CID 56800411
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 94838289
2-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 124832355
2-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 124832356
1-[2-(1-phenylpropyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119757653
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide?
The IUPAC name of N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide (CID 95592185) is N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide.
What is the SMILES notation for N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide?
The canonical SMILES for N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide is CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNC(C)=O.
What is the InChIKey of N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide?
The InChIKey is YVCFDRXKRMMPLN-DLBZAZTESA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-16(15-8-5-4-6-9-15)17-10-7-13-20(17)18(22)11-12-19-14(2)21/h4-6,8-9,16-17H,3,7,10-13H2,1-2H3,(H,19,21)/t16-,17+/m0/s1.
What are the key properties of N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide?
N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide is sourced from PubChem (CID 95592185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).