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

C17H25NO3 — CID 2968010

IUPAC1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)CNC2CCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-2-17(20)13-7-9-16(10-8-13)21-12-15(19)11-18-14-5-3-4-6-14/h7-10,14-15,18-19H,2-6,11-12H2,1H3
InChIKeyQTLALZRQGOWUFL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.55
Rot. Bonds8

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

1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one (PubChem CID 2968010) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one
PubChem CID2968010
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)CNC2CCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-2-17(20)13-7-9-16(10-8-13)21-12-15(19)11-18-14-5-3-4-6-14/h7-10,14-15,18-19H,2-6,11-12H2,1H3
InChIKeyQTLALZRQGOWUFL-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one (CID 2968010) is 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(O)CNC2CCCC2)cc1.
What is the InChIKey of 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
The InChIKey is QTLALZRQGOWUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-17(20)13-7-9-16(10-8-13)21-12-15(19)11-18-14-5-3-4-6-14/h7-10,14-15,18-19H,2-6,11-12H2,1H3.
What are the key properties of 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]propan-1-one is sourced from PubChem (CID 2968010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).