N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide

C18H28N2O3 — CID 87004692

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)N2CCCCCCC2)c(OC)c1
InChIInChI=1S/C18H28N2O3/c1-14(16-10-9-15(22-2)13-17(16)23-3)19-18(21)20-11-7-5-4-6-8-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21)
InChIKeySLDVXGSUVBAPEP-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.74
Rot. Bonds4

About N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide

N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide (PubChem CID 87004692) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
PubChem CID87004692
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)N2CCCCCCC2)c(OC)c1
InChIInChI=1S/C18H28N2O3/c1-14(16-10-9-15(22-2)13-17(16)23-3)19-18(21)20-11-7-5-4-6-8-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21)
InChIKeySLDVXGSUVBAPEP-UHFFFAOYSA-N
XLogP3.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide
CID 138011729
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide
CID 55799582
cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone
CID 86779556
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55588295
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
1-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400
(2S)-2-(azepan-1-yl)-2-(2,4-dimethoxyphenyl)acetic acid
CID 93464327
1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 25490674

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide (CID 87004692) is N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide is COc1ccc(C(C)NC(=O)N2CCCCCCC2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide?
The InChIKey is SLDVXGSUVBAPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(16-10-9-15(22-2)13-17(16)23-3)19-18(21)20-11-7-5-4-6-8-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide is sourced from PubChem (CID 87004692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).