N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide

C17H24N2O2 — CID 170764199

IUPACN-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide
SMILESC=C(OC)c1ccc([C@H](C)NC(=O)C[C@H]2CCCN2)cc1
InChIInChI=1S/C17H24N2O2/c1-12(19-17(20)11-16-5-4-10-18-16)14-6-8-15(9-7-14)13(2)21-3/h6-9,12,16,18H,2,4-5,10-11H2,1,3H3,(H,19,20)/t12-,16+/m0/s1
InChIKeyVNZZDLKMVZAADX-BLLLJJGKSA-N
MW288.39 g/mol
LogP2.62
Rot. Bonds6

About N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide

N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide (PubChem CID 170764199) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide
PubChem CID170764199
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide
SMILESC=C(OC)c1ccc([C@H](C)NC(=O)C[C@H]2CCCN2)cc1
InChIInChI=1S/C17H24N2O2/c1-12(19-17(20)11-16-5-4-10-18-16)14-6-8-15(9-7-14)13(2)21-3/h6-9,12,16,18H,2,4-5,10-11H2,1,3H3,(H,19,20)/t12-,16+/m0/s1
InChIKeyVNZZDLKMVZAADX-BLLLJJGKSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119897485
methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119818568
N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 81400921
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide?
The IUPAC name of N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide (CID 170764199) is N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide is C=C(OC)c1ccc([C@H](C)NC(=O)C[C@H]2CCCN2)cc1.
What is the InChIKey of N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide?
The InChIKey is VNZZDLKMVZAADX-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(19-17(20)11-16-5-4-10-18-16)14-6-8-15(9-7-14)13(2)21-3/h6-9,12,16,18H,2,4-5,10-11H2,1,3H3,(H,19,20)/t12-,16+/m0/s1.
What are the key properties of N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide?
N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 170764199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).