2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide

C15H24N2O3 — CID 14665

IUPAC2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide
SMILESCCOc1ccc(N(C)C(=O)C(C(C)O)N(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-6-20-13-9-7-12(8-10-13)17(5)15(19)14(11(2)18)16(3)4/h7-11,14,18H,6H2,1-5H3
InChIKeyMCLMACLXARTOSR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.36
Rot. Bonds6

About 2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide

2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide (PubChem CID 14665) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide
PubChem CID14665
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide
SMILESCCOc1ccc(N(C)C(=O)C(C(C)O)N(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-6-20-13-9-7-12(8-10-13)17(5)15(19)14(11(2)18)16(3)4/h7-11,14,18H,6H2,1-5H3
InChIKeyMCLMACLXARTOSR-UHFFFAOYSA-N
XLogP1.36
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 11460343
2-bromo-N-(4-ethoxyphenyl)-N-methyl-3-oxopropanamide
CID 19966500
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide
CID 75513593
N-(4-ethoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96672511
(E)-4-(4-ethoxy-N-methylanilino)-4-oxobut-2-enoic acid
CID 115177127
N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide
CID 71930249
N-(4-ethoxyphenyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165646
4-ethoxy-N,N-dimethylaniline
CID 3624890
O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate
CID 19832441
2-[(4-ethoxy-N-methylanilino)methyl]-3-methylbutanoic acid
CID 115250265
2-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 152610342

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide?
The IUPAC name of 2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide (CID 14665) is 2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide is CCOc1ccc(N(C)C(=O)C(C(C)O)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide?
The InChIKey is MCLMACLXARTOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-20-13-9-7-12(8-10-13)17(5)15(19)14(11(2)18)16(3)4/h7-11,14,18H,6H2,1-5H3.
What are the key properties of 2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide?
2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide is sourced from PubChem (CID 14665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).