[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone

C18H28N2O2 — CID 126834637

IUPAC[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone
SMILESCCN(Cc1ccc(C(=O)N2CC(COC)C2)cc1)C(C)C
InChIInChI=1S/C18H28N2O2/c1-5-19(14(2)3)10-15-6-8-17(9-7-15)18(21)20-11-16(12-20)13-22-4/h6-9,14,16H,5,10-13H2,1-4H3
InChIKeyQSHKILFRWKYYIU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.64
Rot. Bonds7

About [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone

[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone (PubChem CID 126834637) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone
PubChem CID126834637
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone
SMILESCCN(Cc1ccc(C(=O)N2CC(COC)C2)cc1)C(C)C
InChIInChI=1S/C18H28N2O2/c1-5-19(14(2)3)10-15-6-8-17(9-7-15)18(21)20-11-16(12-20)13-22-4/h6-9,14,16H,5,10-13H2,1-4H3
InChIKeyQSHKILFRWKYYIU-UHFFFAOYSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone with MolForge

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Related Compounds

[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023199
3-[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid
CID 167809401
N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 167972606
4-[1-[ethyl-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]amino]ethyl]benzonitrile
CID 55989894
2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681101
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732723
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
[4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 87016926
3-[4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]prop-2-enoic acid
CID 77048470
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
N-[[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide
CID 119411289
(4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588870

Frequently Asked Questions

What is the IUPAC name of [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone?
The IUPAC name of [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone (CID 126834637) is [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone is CCN(Cc1ccc(C(=O)N2CC(COC)C2)cc1)C(C)C.
What is the InChIKey of [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone?
The InChIKey is QSHKILFRWKYYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-19(14(2)3)10-15-6-8-17(9-7-15)18(21)20-11-16(12-20)13-22-4/h6-9,14,16H,5,10-13H2,1-4H3.
What are the key properties of [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone?
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone has a molecular weight of 304.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 126834637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).