[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone

C20H24N2O — CID 84558036

IUPAC[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCc1ccccc1NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C20H24N2O/c1-2-17-9-3-4-11-19(17)21-15-16-8-7-10-18(14-16)20(23)22-12-5-6-13-22/h3-4,7-11,14,21H,2,5-6,12-13,15H2,1H3
InChIKeyHKYRXJKMWQFUQO-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.10
Rot. Bonds5

About [3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone

[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 84558036) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID84558036
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCc1ccccc1NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C20H24N2O/c1-2-17-9-3-4-11-19(17)21-15-16-8-7-10-18(14-16)20(23)22-12-5-6-13-22/h3-4,7-11,14,21H,2,5-6,12-13,15H2,1H3
InChIKeyHKYRXJKMWQFUQO-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 84557978
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone
CID 84558216
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463689
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
CID 55701972
[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone
CID 126764258
1-(3-chloro-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075869
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556609

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 84558036) is [3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone is CCc1ccccc1NCc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of [3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HKYRXJKMWQFUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-17-9-3-4-11-19(17)21-15-16-8-7-10-18(14-16)20(23)22-12-5-6-13-22/h3-4,7-11,14,21H,2,5-6,12-13,15H2,1H3.
What are the key properties of [3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 308.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 84558036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).