N-cycloheptyl-2,4,5-trimethoxybenzamide

C17H25NO4 — CID 912400

IUPACN-cycloheptyl-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NC2CCCCCC2)cc1OC
InChIInChI=1S/C17H25NO4/c1-20-14-11-16(22-3)15(21-2)10-13(14)17(19)18-12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyOBDMISDFLMVPNH-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.16
Rot. Bonds5

About N-cycloheptyl-2,4,5-trimethoxybenzamide

N-cycloheptyl-2,4,5-trimethoxybenzamide (PubChem CID 912400) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-cycloheptyl-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-cycloheptyl-2,4,5-trimethoxybenzamide
PubChem CID912400
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-cycloheptyl-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NC2CCCCCC2)cc1OC
InChIInChI=1S/C17H25NO4/c1-20-14-11-16(22-3)15(21-2)10-13(14)17(19)18-12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyOBDMISDFLMVPNH-UHFFFAOYSA-N
XLogP3.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5597
Opiranserin
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Trocimine
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Capobenic Acid
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Ncq-298
CID 14601425
Benzamide, N-(2-(1-pyrrolidinyl)ethyl)-3,4,5-trimethoxy-, monohydrochloride
CID 2947321
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide
CID 23276629
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide
CID 23276775
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2,3-dimethoxy-benzamide
CID 14416355
3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide
CID 14668300
Tricetamide
CID 67763
N-(3,4,5-Trimethoxybenzoyl)deacetylcolchicine
CID 84075

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,4,5-trimethoxybenzamide?
The IUPAC name of N-cycloheptyl-2,4,5-trimethoxybenzamide (CID 912400) is N-cycloheptyl-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-cycloheptyl-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-cycloheptyl-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)NC2CCCCCC2)cc1OC.
What is the InChIKey of N-cycloheptyl-2,4,5-trimethoxybenzamide?
The InChIKey is OBDMISDFLMVPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-20-14-11-16(22-3)15(21-2)10-13(14)17(19)18-12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of N-cycloheptyl-2,4,5-trimethoxybenzamide?
N-cycloheptyl-2,4,5-trimethoxybenzamide has a molecular weight of 307.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 912400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).