2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone

C14H19NO3 — CID 117376031

IUPAC2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)cc1OC1CCCC1
InChIInChI=1S/C14H19NO3/c1-17-13-7-6-10(12(16)9-15)8-14(13)18-11-4-2-3-5-11/h6-8,11H,2-5,9,15H2,1H3
InChIKeyJSNCXOGNQWYIRA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.16
Rot. Bonds5

About 2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone

2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone (PubChem CID 117376031) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
PubChem CID117376031
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)cc1OC1CCCC1
InChIInChI=1S/C14H19NO3/c1-17-13-7-6-10(12(16)9-15)8-14(13)18-11-4-2-3-5-11/h6-8,11H,2-5,9,15H2,1H3
InChIKeyJSNCXOGNQWYIRA-UHFFFAOYSA-N
XLogP2.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
CID 19892499
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
[1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate
CID 57237577
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
CID 117423149
(NZ)-N-[2-chloro-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 87638358
(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
CID 54358933
3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide
CID 175335295
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone (CID 117376031) is 2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN)cc1OC1CCCC1.
What is the InChIKey of 2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone?
The InChIKey is JSNCXOGNQWYIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-7-6-10(12(16)9-15)8-14(13)18-11-4-2-3-5-11/h6-8,11H,2-5,9,15H2,1H3.
What are the key properties of 2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone?
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone is sourced from PubChem (CID 117376031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).