N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide

C16H26N2O2 — CID 60676604

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1ccccc1CN(CC)CC
InChIInChI=1S/C16H26N2O2/c1-4-18(5-2)12-15-10-8-7-9-14(15)11-17-16(19)13-20-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,17,19)
InChIKeyNSIDKTZLEXOUDJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds9

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide (PubChem CID 60676604) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide
PubChem CID60676604
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1ccccc1CN(CC)CC
InChIInChI=1S/C16H26N2O2/c1-4-18(5-2)12-15-10-8-7-9-14(15)11-17-16(19)13-20-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,17,19)
InChIKeyNSIDKTZLEXOUDJ-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 134022151
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
CID 9073272
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86934936
3-[[2-(diethylaminomethyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 114897128
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119836094
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbutanamide
CID 61259162
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 31640298
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide (CID 60676604) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide is CCOCC(=O)NCc1ccccc1CN(CC)CC.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide?
The InChIKey is NSIDKTZLEXOUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-18(5-2)12-15-10-8-7-9-14(15)11-17-16(19)13-20-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,17,19).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide is sourced from PubChem (CID 60676604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).