N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide

C16H26N2O2 — CID 119506968

IUPACN-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCCNCCNC(=O)C(C)(C)Cc1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-5-17-10-11-18-15(19)16(2,3)12-13-8-6-7-9-14(13)20-4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19)
InChIKeyBLVCTRYWSUIILA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide

N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 119506968) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
PubChem CID119506968
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCCNCCNC(=O)C(C)(C)Cc1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-5-17-10-11-18-15(19)16(2,3)12-13-8-6-7-9-14(13)20-4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19)
InChIKeyBLVCTRYWSUIILA-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 111485941
N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 81021747
N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 111486022
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557189
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108957803
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide (CID 119506968) is N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide is CCNCCNC(=O)C(C)(C)Cc1ccccc1OC.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is BLVCTRYWSUIILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-17-10-11-18-15(19)16(2,3)12-13-8-6-7-9-14(13)20-4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 119506968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).