[4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone

C23H30N2O2 — CID 87016926

IUPAC[4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCN(Cc1ccc(C(=O)N2CCCC2)cc1)C(C)c1cccc(OC)c1
InChIInChI=1S/C23H30N2O2/c1-4-24(18(2)21-8-7-9-22(16-21)27-3)17-19-10-12-20(13-11-19)23(26)25-14-5-6-15-25/h7-13,16,18H,4-6,14-15,17H2,1-3H3
InChIKeyYCGNYSWCTAIASI-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.51
Rot. Bonds7

About [4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 87016926) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is [4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID87016926
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name[4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCN(Cc1ccc(C(=O)N2CCCC2)cc1)C(C)c1cccc(OC)c1
InChIInChI=1S/C23H30N2O2/c1-4-24(18(2)21-8-7-9-22(16-21)27-3)17-19-10-12-20(13-11-19)23(26)25-14-5-6-15-25/h7-13,16,18H,4-6,14-15,17H2,1-3H3
InChIKeyYCGNYSWCTAIASI-UHFFFAOYSA-N
XLogP4.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[ethyl-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]amino]ethyl]benzonitrile
CID 55989894
N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine
CID 60508907
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-ethylphenyl)-[4-[(2S)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone
CID 92769426
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
N-benzyl-2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 75878483
[4-[9-azabicyclo[4.2.1]nonan-9-yl-(3-methoxyphenyl)methyl]phenyl]-piperidin-1-ylmethanone;prop-2-en-1-amine
CID 67258614
[4-[(3-methoxyphenyl)-(9-prop-2-enyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 58313446
methyl 4-[[(1R)-2-[4-(4-methoxycarbonylbenzoyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy]methyl]benzoate
CID 98400975
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395

Frequently Asked Questions

What is the IUPAC name of [4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 87016926) is [4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone is CCN(Cc1ccc(C(=O)N2CCCC2)cc1)C(C)c1cccc(OC)c1.
What is the InChIKey of [4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is YCGNYSWCTAIASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-24(18(2)21-8-7-9-22(16-21)27-3)17-19-10-12-20(13-11-19)23(26)25-14-5-6-15-25/h7-13,16,18H,4-6,14-15,17H2,1-3H3.
What are the key properties of [4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 366.51 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 87016926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).