N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide

C20H28N2O2 — CID 97248693

IUPACN-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide
SMILESCC[C@H](NC(=O)/C=C1/C[C@H]2CC[C@@H](C1)N2C)c1ccc(OC)cc1
InChIInChI=1S/C20H28N2O2/c1-4-19(15-5-9-18(24-3)10-6-15)21-20(23)13-14-11-16-7-8-17(12-14)22(16)2/h5-6,9-10,13,16-17,19H,4,7-8,11-12H2,1-3H3,(H,21,23)/b14-13-/t16-,17+,19+/m1/s1
InChIKeyUQOMVRGOXNDVBG-NRTNGJPUSA-N
MW328.46 g/mol
LogP3.45
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide (PubChem CID 97248693) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide
PubChem CID97248693
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide
SMILESCC[C@H](NC(=O)/C=C1/C[C@H]2CC[C@@H](C1)N2C)c1ccc(OC)cc1
InChIInChI=1S/C20H28N2O2/c1-4-19(15-5-9-18(24-3)10-6-15)21-20(23)13-14-11-16-7-8-17(12-14)22(16)2/h5-6,9-10,13,16-17,19H,4,7-8,11-12H2,1-3H3,(H,21,23)/b14-13-/t16-,17+,19+/m1/s1
InChIKeyUQOMVRGOXNDVBG-NRTNGJPUSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 87000052
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
(4S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311059
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
(E)-3-(3,5-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)propyl]prop-2-enamide
CID 18090461
3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 110882626
2-ethoxy-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 60657142
2-amino-N-[1-(4-methoxyphenyl)propyl]-2-methylpropanamide
CID 61266584

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide (CID 97248693) is N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide is CC[C@H](NC(=O)/C=C1/C[C@H]2CC[C@@H](C1)N2C)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide?
The InChIKey is UQOMVRGOXNDVBG-NRTNGJPUSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-19(15-5-9-18(24-3)10-6-15)21-20(23)13-14-11-16-7-8-17(12-14)22(16)2/h5-6,9-10,13,16-17,19H,4,7-8,11-12H2,1-3H3,(H,21,23)/b14-13-/t16-,17+,19+/m1/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide?
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide has a molecular weight of 328.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide is sourced from PubChem (CID 97248693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).