(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone

C16H23NO3 — CID 79067768

IUPAC(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
SMILESCOc1ccc(C(=O)C2(N(C)C)CCCC2)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-17(2)16(9-5-6-10-16)15(18)13-8-7-12(19-3)11-14(13)20-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyKARVKLYJWPNIBR-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.76
Rot. Bonds5

About (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone

(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone (PubChem CID 79067768) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
PubChem CID79067768
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
SMILESCOc1ccc(C(=O)C2(N(C)C)CCCC2)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-17(2)16(9-5-6-10-16)15(18)13-8-7-12(19-3)11-14(13)20-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyKARVKLYJWPNIBR-UHFFFAOYSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone
CID 79067601
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium
CID 173194952
(4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
CID 173195008
2,4-dimethoxybenzoate
CID 6947027
N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
CID 60704649
N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638374
N-(2-aminocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638864

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone (CID 79067768) is (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone is COc1ccc(C(=O)C2(N(C)C)CCCC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone?
The InChIKey is KARVKLYJWPNIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17(2)16(9-5-6-10-16)15(18)13-8-7-12(19-3)11-14(13)20-4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone?
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone has a molecular weight of 277.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone is sourced from PubChem (CID 79067768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).