2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone

C15H21NO3 — CID 82102039

IUPAC2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNC2CCCC2)cc1OC
InChIInChI=1S/C15H21NO3/c1-18-14-8-7-11(9-15(14)19-2)13(17)10-16-12-5-3-4-6-12/h7-9,12,16H,3-6,10H2,1-2H3
InChIKeyBNIYDUDQSFZQPI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds6

About 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone

2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 82102039) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID82102039
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNC2CCCC2)cc1OC
InChIInChI=1S/C15H21NO3/c1-18-14-8-7-11(9-15(14)19-2)13(17)10-16-12-5-3-4-6-12/h7-9,12,16H,3-6,10H2,1-2H3
InChIKeyBNIYDUDQSFZQPI-UHFFFAOYSA-N
XLogP2.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]ethanone
CID 94327694
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
1-cyclopropyl-3-(3,4-dimethoxyphenyl)propane-1,3-dione
CID 55204524
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 96677935
1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-one
CID 98017254
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 98784307
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone (CID 82102039) is 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)CNC2CCCC2)cc1OC.
What is the InChIKey of 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is BNIYDUDQSFZQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-14-8-7-11(9-15(14)19-2)13(17)10-16-12-5-3-4-6-12/h7-9,12,16H,3-6,10H2,1-2H3.
What are the key properties of 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone?
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 82102039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).