N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide

C14H21NO3 — CID 115178652

IUPACN-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCCc1cc(N(C)C(=O)C(C)(C)O)ccc1OC
InChIInChI=1S/C14H21NO3/c1-6-10-9-11(7-8-12(10)18-5)15(4)13(16)14(2,3)17/h7-9,17H,6H2,1-5H3
InChIKeyIZEJFYNMVBKPPI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.99
Rot. Bonds4

About N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide

N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide (PubChem CID 115178652) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
PubChem CID115178652
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCCc1cc(N(C)C(=O)C(C)(C)O)ccc1OC
InChIInChI=1S/C14H21NO3/c1-6-10-9-11(7-8-12(10)18-5)15(4)13(16)14(2,3)17/h7-9,17H,6H2,1-5H3
InChIKeyIZEJFYNMVBKPPI-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190181
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide
CID 115186906
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
2-hydroxy-N-(2-methoxy-4,5-dimethylphenyl)-N,2-dimethylpropanamide
CID 115178640
N-(2,4-dimethoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178639
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
4-(3-ethyl-4-methoxy-N-methylanilino)-3-oxobutanenitrile
CID 117038334
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178823
3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135387
3-(3-ethyl-4-methoxy-N-methylanilino)propanenitrile
CID 115230759
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide?
The IUPAC name of N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide (CID 115178652) is N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide?
The canonical SMILES for N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide is CCc1cc(N(C)C(=O)C(C)(C)O)ccc1OC.
What is the InChIKey of N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide?
The InChIKey is IZEJFYNMVBKPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-10-9-11(7-8-12(10)18-5)15(4)13(16)14(2,3)17/h7-9,17H,6H2,1-5H3.
What are the key properties of N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide?
N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide is sourced from PubChem (CID 115178652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).