(2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one

C23H27NO2 — CID 102508964

IUPAC(2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one
SMILESC=CCN(Cc1ccccc1)[C@@]1(COCc2ccccc2)CCCC1=O
InChIInChI=1S/C23H27NO2/c1-2-16-24(17-20-10-5-3-6-11-20)23(15-9-14-22(23)25)19-26-18-21-12-7-4-8-13-21/h2-8,10-13H,1,9,14-19H2/t23-/m1/s1
InChIKeyOWTILJDNBCIGON-HSZRJFAPSA-N
MW349.47 g/mol
LogP4.38
Rot. Bonds9

About (2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one

(2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one (PubChem CID 102508964) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one
PubChem CID102508964
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one
SMILESC=CCN(Cc1ccccc1)[C@@]1(COCc2ccccc2)CCCC1=O
InChIInChI=1S/C23H27NO2/c1-2-16-24(17-20-10-5-3-6-11-20)23(15-9-14-22(23)25)19-26-18-21-12-7-4-8-13-21/h2-8,10-13H,1,9,14-19H2/t23-/m1/s1
InChIKeyOWTILJDNBCIGON-HSZRJFAPSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-but-3-enyl-2-(phenylmethoxymethyl)cyclohexan-1-one
CID 102031690
2-methoxy-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 175604739
(5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10513737
benzyl (1S)-2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 15315569
(2S)-2-benzyl-2-prop-2-enylcyclohexan-1-one
CID 11183780
[1-(phenylmethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 102940470
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
(2S)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-one
CID 11379955
cis-(2S,3S)-3-hydroxy-2-methyl-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 11230049
[1-(isocyanatomethyl)cyclopentyl]methoxymethylbenzene
CID 115045614
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one?
The IUPAC name of (2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one (CID 102508964) is (2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one.
What is the SMILES notation for (2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one?
The canonical SMILES for (2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one is C=CCN(Cc1ccccc1)[C@@]1(COCc2ccccc2)CCCC1=O.
What is the InChIKey of (2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one?
The InChIKey is OWTILJDNBCIGON-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H27NO2/c1-2-16-24(17-20-10-5-3-6-11-20)23(15-9-14-22(23)25)19-26-18-21-12-7-4-8-13-21/h2-8,10-13H,1,9,14-19H2/t23-/m1/s1.
What are the key properties of (2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one?
(2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one has a molecular weight of 349.47 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one is sourced from PubChem (CID 102508964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).