3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one

C19H27NO2 — CID 110182601

IUPAC3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one
SMILESCC1=C(C(=O)CCNC(C)C(O)c2ccccc2)CCCC1
InChIInChI=1S/C19H27NO2/c1-14-8-6-7-11-17(14)18(21)12-13-20-15(2)19(22)16-9-4-3-5-10-16/h3-5,9-10,15,19-20,22H,6-8,11-13H2,1-2H3
InChIKeyODGOPYLQQOYTCV-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.55
Rot. Bonds7

About 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one

3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one (PubChem CID 110182601) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one
PubChem CID110182601
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one
SMILESCC1=C(C(=O)CCNC(C)C(O)c2ccccc2)CCCC1
InChIInChI=1S/C19H27NO2/c1-14-8-6-7-11-17(14)18(21)12-13-20-15(2)19(22)16-9-4-3-5-10-16/h3-5,9-10,15,19-20,22H,6-8,11-13H2,1-2H3
InChIKeyODGOPYLQQOYTCV-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one?
The IUPAC name of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one (CID 110182601) is 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one.
What is the SMILES notation for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one?
The canonical SMILES for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one is CC1=C(C(=O)CCNC(C)C(O)c2ccccc2)CCCC1.
What is the InChIKey of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one?
The InChIKey is ODGOPYLQQOYTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-14-8-6-7-11-17(14)18(21)12-13-20-15(2)19(22)16-9-4-3-5-10-16/h3-5,9-10,15,19-20,22H,6-8,11-13H2,1-2H3.
What are the key properties of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one?
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one has a molecular weight of 301.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one is sourced from PubChem (CID 110182601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).