3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide

C16H26N2O2 — CID 60925933

IUPAC3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCOc1ccccc1CNCCC(=O)N(CC)CC
InChIInChI=1S/C16H26N2O2/c1-4-18(5-2)16(19)11-12-17-13-14-9-7-8-10-15(14)20-6-3/h7-10,17H,4-6,11-13H2,1-3H3
InChIKeyYOPYRSBAYMVNRP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds9

About 3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide

3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide (PubChem CID 60925933) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
PubChem CID60925933
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCOc1ccccc1CNCCC(=O)N(CC)CC
InChIInChI=1S/C16H26N2O2/c1-4-18(5-2)16(19)11-12-17-13-14-9-7-8-10-15(14)20-6-3/h7-10,17H,4-6,11-13H2,1-3H3
InChIKeyYOPYRSBAYMVNRP-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[[3-(diethylamino)-3-oxopropyl]amino]methyl]benzoate
CID 60925943
3-[(2,3-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54944678
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide
CID 112554135
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
CID 60961087
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid
CID 68548212
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 60960943
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925413

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide (CID 60925933) is 3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide is CCOc1ccccc1CNCCC(=O)N(CC)CC.
What is the InChIKey of 3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide?
The InChIKey is YOPYRSBAYMVNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-18(5-2)16(19)11-12-17-13-14-9-7-8-10-15(14)20-6-3/h7-10,17H,4-6,11-13H2,1-3H3.
What are the key properties of 3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide?
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 60925933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).