N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide

C16H25NO2 — CID 78780749

IUPACN-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
SMILESCCOc1ccc(CN(C)C(=O)C(CC)CC)cc1
InChIInChI=1S/C16H25NO2/c1-5-14(6-2)16(18)17(4)12-13-8-10-15(11-9-13)19-7-3/h8-11,14H,5-7,12H2,1-4H3
InChIKeyGXXZCHKOAOLTLJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.48
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide

N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide (PubChem CID 78780749) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
PubChem CID78780749
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
SMILESCCOc1ccc(CN(C)C(=O)C(CC)CC)cc1
InChIInChI=1S/C16H25NO2/c1-5-14(6-2)16(18)17(4)12-13-8-10-15(11-9-13)19-7-3/h8-11,14H,5-7,12H2,1-4H3
InChIKeyGXXZCHKOAOLTLJ-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895070
N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
CID 78801142
2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide
CID 56546435
N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
CID 78906847
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
N-[(4-ethoxyphenyl)methyl]-N-ethyl-2-methoxybutanamide
CID 131938327

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide (CID 78780749) is N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide is CCOc1ccc(CN(C)C(=O)C(CC)CC)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide?
The InChIKey is GXXZCHKOAOLTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-14(6-2)16(18)17(4)12-13-8-10-15(11-9-13)19-7-3/h8-11,14H,5-7,12H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide?
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 78780749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).