N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C18H27NO4 — CID 2480018

IUPACN-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H27NO4/c1-21-15-9-14(10-16(22-2)18(15)23-3)11-17(20)19-12-13-7-5-4-6-8-13/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,20)
InChIKeyKXPNAVHJEZVCKE-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.95
Rot. Bonds7

About N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2480018) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2480018
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC NameN-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H27NO4/c1-21-15-9-14(10-16(22-2)18(15)23-3)11-17(20)19-12-13-7-5-4-6-8-13/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,20)
InChIKeyKXPNAVHJEZVCKE-UHFFFAOYSA-N
XLogP2.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2480018) is N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCC2CCCCC2)cc(OC)c1OC.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is KXPNAVHJEZVCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-21-15-9-14(10-16(22-2)18(15)23-3)11-17(20)19-12-13-7-5-4-6-8-13/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2480018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).