1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone

C17H25NO3 — CID 60911414

IUPAC1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(CCO)C1CCCC1
InChIInChI=1S/C17H25NO3/c1-13(20)14-7-8-17(21-2)15(11-14)12-18(9-10-19)16-5-3-4-6-16/h7-8,11,16,19H,3-6,9-10,12H2,1-2H3
InChIKeyZCUOKFMINSBBKJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.63
Rot. Bonds7

About 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone

1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone (PubChem CID 60911414) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
PubChem CID60911414
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(CCO)C1CCCC1
InChIInChI=1S/C17H25NO3/c1-13(20)14-7-8-17(21-2)15(11-14)12-18(9-10-19)16-5-3-4-6-16/h7-8,11,16,19H,3-6,9-10,12H2,1-2H3
InChIKeyZCUOKFMINSBBKJ-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-acetyl-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 60839543
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
3-[3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 102869818
2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 54995976
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401
1-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60691475
1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 63299582
1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
CID 43607598
1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone
CID 43789493

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone (CID 60911414) is 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1CN(CCO)C1CCCC1.
What is the InChIKey of 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone?
The InChIKey is ZCUOKFMINSBBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(20)14-7-8-17(21-2)15(11-14)12-18(9-10-19)16-5-3-4-6-16/h7-8,11,16,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone?
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 60911414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).