2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide

C16H24N2O — CID 94197653

IUPAC2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-12(2)16(19)17-15-9-10-18(11-15)13(3)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1
InChIKeyKJUMQUAIEXQQOC-ZFWWWQNUSA-N
MW260.38 g/mol
LogP2.59
Rot. Bonds4

About 2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide

2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide (PubChem CID 94197653) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
PubChem CID94197653
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-12(2)16(19)17-15-9-10-18(11-15)13(3)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1
InChIKeyKJUMQUAIEXQQOC-ZFWWWQNUSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
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-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
1-oxido-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridin-1-ium-2-carboxamide
CID 95094293
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 51091908
3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 48862621
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 94536258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide (CID 94197653) is 2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide is CC(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The InChIKey is KJUMQUAIEXQQOC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)16(19)17-15-9-10-18(11-15)13(3)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 94197653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).