[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone

C19H21NO2 — CID 162660899

IUPAC[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C19H21NO2/c1-2-22-18-10-8-15(9-11-18)16-6-5-7-17(14-16)19(21)20-12-3-4-13-20/h5-11,14H,2-4,12-13H2,1H3
InChIKeyVCDIDXADGGAXKN-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.99
Rot. Bonds4

About [3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone

[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 162660899) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID162660899
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C19H21NO2/c1-2-22-18-10-8-15(9-11-18)16-6-5-7-17(14-16)19(21)20-12-3-4-13-20/h5-11,14H,2-4,12-13H2,1H3
InChIKeyVCDIDXADGGAXKN-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone
CID 119069998
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108545962
2-(4-ethoxyphenoxy)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 36629430
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
CID 94278974
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone (CID 162660899) is [3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone is CCOc1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of [3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is VCDIDXADGGAXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-22-18-10-8-15(9-11-18)16-6-5-7-17(14-16)19(21)20-12-3-4-13-20/h5-11,14H,2-4,12-13H2,1H3.
What are the key properties of [3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone?
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 295.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 162660899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).