(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide

C16H22N2O2 — CID 99777059

IUPAC(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide
SMILESC=C[C@@H](CC(=O)N[C@H]1CNC[C@@H]1OC)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-12(13-7-5-4-6-8-13)9-16(19)18-14-10-17-11-15(14)20-2/h3-8,12,14-15,17H,1,9-11H2,2H3,(H,18,19)/t12-,14-,15-/m0/s1
InChIKeyMYZKKPLDCIWCRH-QEJZJMRPSA-N
MW274.36 g/mol
LogP1.45
Rot. Bonds6

About (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide

(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide (PubChem CID 99777059) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide.

Molecular Properties

Compound Name(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide
PubChem CID99777059
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide
SMILESC=C[C@@H](CC(=O)N[C@H]1CNC[C@@H]1OC)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-12(13-7-5-4-6-8-13)9-16(19)18-14-10-17-11-15(14)20-2/h3-8,12,14-15,17H,1,9-11H2,2H3,(H,18,19)/t12-,14-,15-/m0/s1
InChIKeyMYZKKPLDCIWCRH-QEJZJMRPSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide
CID 136575983
methyl (3S)-3-phenylpent-4-enoate
CID 10511884
methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate
CID 124572872
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide
CID 43594044
N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 43594014
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 62881760
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893256
2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide
CID 74883365
2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 43594047
(3S)-3-phenylpent-4-enoic acid
CID 92981953
4-methyl-4-(3-phenylpent-4-enoylamino)pentanoic acid
CID 120519395

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide?
The IUPAC name of (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide (CID 99777059) is (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide.
What is the SMILES notation for (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide?
The canonical SMILES for (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide is C=C[C@@H](CC(=O)N[C@H]1CNC[C@@H]1OC)c1ccccc1.
What is the InChIKey of (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide?
The InChIKey is MYZKKPLDCIWCRH-QEJZJMRPSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-12(13-7-5-4-6-8-13)9-16(19)18-14-10-17-11-15(14)20-2/h3-8,12,14-15,17H,1,9-11H2,2H3,(H,18,19)/t12-,14-,15-/m0/s1.
What are the key properties of (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide?
(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide has a molecular weight of 274.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide is sourced from PubChem (CID 99777059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).