N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide

C16H26N2O2 — CID 43203001

IUPACN-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
SMILESCCOc1ccccc1C(C)NCCNC(=O)C(C)C
InChIInChI=1S/C16H26N2O2/c1-5-20-15-9-7-6-8-14(15)13(4)17-10-11-18-16(19)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyBXGJGEOWLQYOQZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.51
Rot. Bonds8

About N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide

N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide (PubChem CID 43203001) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
PubChem CID43203001
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
SMILESCCOc1ccccc1C(C)NCCNC(=O)C(C)C
InChIInChI=1S/C16H26N2O2/c1-5-20-15-9-7-6-8-14(15)13(4)17-10-11-18-16(19)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyBXGJGEOWLQYOQZ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116569
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
2-[1-(2-ethoxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900155
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
N-[1-(2-ethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097849
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide (CID 43203001) is N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide is CCOc1ccccc1C(C)NCCNC(=O)C(C)C.
What is the InChIKey of N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide?
The InChIKey is BXGJGEOWLQYOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-20-15-9-7-6-8-14(15)13(4)17-10-11-18-16(19)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide?
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 43203001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).