N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide

C15H24N2O2 — CID 119508296

IUPACN-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
SMILESCCNCCNC(=O)CC(C)c1cccc(OC)c1
InChIInChI=1S/C15H24N2O2/c1-4-16-8-9-17-15(18)10-12(2)13-6-5-7-14(11-13)19-3/h5-7,11-12,16H,4,8-10H2,1-3H3,(H,17,18)
InChIKeyNRIHMZIUBMSIKI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.91
Rot. Bonds8

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

N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide (PubChem CID 119508296) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
PubChem CID119508296
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
SMILESCCNCCNC(=O)CC(C)c1cccc(OC)c1
InChIInChI=1S/C15H24N2O2/c1-4-16-8-9-17-15(18)10-12(2)13-6-5-7-14(11-13)19-3/h5-7,11-12,16H,4,8-10H2,1-3H3,(H,17,18)
InChIKeyNRIHMZIUBMSIKI-UHFFFAOYSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.91
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-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 119440333
N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide
CID 71973986
(3R)-N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-(3-methoxyphenyl)butanamide
CID 97018455
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide
CID 119505694
N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide
CID 109479061
1-[[3-(3-methoxyphenyl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545023
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide
CID 112511303
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
CID 120568050
N-[2-(ethylamino)ethyl]-3,3-diphenylpropanamide;hydrochloride
CID 119508377

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide (CID 119508296) is N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide is CCNCCNC(=O)CC(C)c1cccc(OC)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide?
The InChIKey is NRIHMZIUBMSIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-16-8-9-17-15(18)10-12(2)13-6-5-7-14(11-13)19-3/h5-7,11-12,16H,4,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide?
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.91, 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-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 119508296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).