3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide

C15H24N2O2 — CID 112686525

IUPAC3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCCc1ccc(CNCCC(=O)NCCOC)cc1
InChIInChI=1S/C15H24N2O2/c1-3-13-4-6-14(7-5-13)12-16-9-8-15(18)17-10-11-19-2/h4-7,16H,3,8-12H2,1-2H3,(H,17,18)
InChIKeyNJQOBYROVYYSGJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.49
Rot. Bonds9

About 3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide

3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 112686525) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID112686525
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCCc1ccc(CNCCC(=O)NCCOC)cc1
InChIInChI=1S/C15H24N2O2/c1-3-13-4-6-14(7-5-13)12-16-9-8-15(18)17-10-11-19-2/h4-7,16H,3,8-12H2,1-2H3,(H,17,18)
InChIKeyNJQOBYROVYYSGJ-UHFFFAOYSA-N
XLogP1.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.49
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

3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686545
N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
CID 115686119
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 102911835
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686507
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263896
N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide
CID 113409977
N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 61059305

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide (CID 112686525) is 3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide is CCc1ccc(CNCCC(=O)NCCOC)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is NJQOBYROVYYSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-13-4-6-14(7-5-13)12-16-9-8-15(18)17-10-11-19-2/h4-7,16H,3,8-12H2,1-2H3,(H,17,18).
What are the key properties of 3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 112686525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).