1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one

C19H29NO3 — CID 2102296

IUPAC1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC[C@H](O)CNC2CCCCCC2)cc1
InChIInChI=1S/C19H29NO3/c1-2-19(22)15-9-11-18(12-10-15)23-14-17(21)13-20-16-7-5-3-4-6-8-16/h9-12,16-17,20-21H,2-8,13-14H2,1H3/t17-/m1/s1
InChIKeyOBGQELOXBOBUHR-QGZVFWFLSA-N
MW319.45 g/mol
LogP3.33
Rot. Bonds8

About 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one

1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one (PubChem CID 2102296) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
PubChem CID2102296
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC[C@H](O)CNC2CCCCCC2)cc1
InChIInChI=1S/C19H29NO3/c1-2-19(22)15-9-11-18(12-10-15)23-14-17(21)13-20-16-7-5-3-4-6-8-16/h9-12,16-17,20-21H,2-8,13-14H2,1H3/t17-/m1/s1
InChIKeyOBGQELOXBOBUHR-QGZVFWFLSA-N
XLogP3.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one 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

1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138958786
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
CID 1265839
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
4-[1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 67847089
1-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 51566506
1-[4-[2-hydroxy-3-(oxan-4-ylamino)propoxy]phenyl]ethanone;hydrochloride
CID 122714551
[4-[(E)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]but-1-enyl]phenyl] acetate
CID 67847224
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one (CID 2102296) is 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OC[C@H](O)CNC2CCCCCC2)cc1.
What is the InChIKey of 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
The InChIKey is OBGQELOXBOBUHR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29NO3/c1-2-19(22)15-9-11-18(12-10-15)23-14-17(21)13-20-16-7-5-3-4-6-8-16/h9-12,16-17,20-21H,2-8,13-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one has a molecular weight of 319.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one is sourced from PubChem (CID 2102296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).