3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide

C17H25N3O2 — CID 100840976

IUPAC3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
SMILESCC(=O)NCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-13(15-6-4-3-5-7-15)20-11-9-16(12-20)19-17(22)8-10-18-14(2)21/h3-7,13,16H,8-12H2,1-2H3,(H,18,21)(H,19,22)/t13-,16+/m0/s1
InChIKeyHISKARQYHIUDJD-XJKSGUPXSA-N
MW303.41 g/mol
LogP1.46
Rot. Bonds6

About 3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide

3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide (PubChem CID 100840976) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
PubChem CID100840976
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
SMILESCC(=O)NCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-13(15-6-4-3-5-7-15)20-11-9-16(12-20)19-17(22)8-10-18-14(2)21/h3-7,13,16H,8-12H2,1-2H3,(H,18,21)(H,19,22)/t13-,16+/m0/s1
InChIKeyHISKARQYHIUDJD-XJKSGUPXSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide
CID 95972242
2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98726631
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98954680
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 51091908
1-oxido-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridin-1-ium-2-carboxamide
CID 95094293

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide (CID 100840976) is 3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide is CC(=O)NCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1.
What is the InChIKey of 3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The InChIKey is HISKARQYHIUDJD-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(15-6-4-3-5-7-15)20-11-9-16(12-20)19-17(22)8-10-18-14(2)21/h3-7,13,16H,8-12H2,1-2H3,(H,18,21)(H,19,22)/t13-,16+/m0/s1.
What are the key properties of 3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 100840976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).