N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

C18H28N2O3 — CID 108957803

IUPACN-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCCCCNC(=O)C(C)(C)C(=O)NCCc1ccccc1OC
InChIInChI=1S/C18H28N2O3/c1-5-6-12-19-16(21)18(2,3)17(22)20-13-11-14-9-7-8-10-15(14)23-4/h7-10H,5-6,11-13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRLXXROVEAIWIBX-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.30
Rot. Bonds9

About N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108957803) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108957803
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCCCCNC(=O)C(C)(C)C(=O)NCCc1ccccc1OC
InChIInChI=1S/C18H28N2O3/c1-5-6-12-19-16(21)18(2,3)17(22)20-13-11-14-9-7-8-10-15(14)23-4/h7-10H,5-6,11-13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRLXXROVEAIWIBX-UHFFFAOYSA-N
XLogP2.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964149
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 106260825
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964304
2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197369
N-(1,1-dioxothiolan-3-yl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964259
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128
1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899894
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (CID 108957803) is N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is CCCCNC(=O)C(C)(C)C(=O)NCCc1ccccc1OC.
What is the InChIKey of N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is RLXXROVEAIWIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-6-12-19-16(21)18(2,3)17(22)20-13-11-14-9-7-8-10-15(14)23-4/h7-10H,5-6,11-13H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 320.43 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108957803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).