N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide

C14H21NO3 — CID 115162888

IUPACN-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide
SMILESCCOc1ccc(N(C)C(=O)CCCO)cc1C
InChIInChI=1S/C14H21NO3/c1-4-18-13-8-7-12(10-11(13)2)15(3)14(17)6-5-9-16/h7-8,10,16H,4-6,9H2,1-3H3
InChIKeyPGRUWGYCYGPPAQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.13
Rot. Bonds6

About N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide

N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide (PubChem CID 115162888) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide
PubChem CID115162888
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide
SMILESCCOc1ccc(N(C)C(=O)CCCO)cc1C
InChIInChI=1S/C14H21NO3/c1-4-18-13-8-7-12(10-11(13)2)15(3)14(17)6-5-9-16/h7-8,10,16H,4-6,9H2,1-3H3
InChIKeyPGRUWGYCYGPPAQ-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166060
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910
4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115156304
methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate
CID 115174603
4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908
3-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylpropanamide
CID 115162416
N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139170
3-(4-ethoxy-3-methylphenyl)sulfonylpropan-1-ol
CID 116853206
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115197781
4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide (CID 115162888) is N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide is CCOc1ccc(N(C)C(=O)CCCO)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide?
The InChIKey is PGRUWGYCYGPPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-13-8-7-12(10-11(13)2)15(3)14(17)6-5-9-16/h7-8,10,16H,4-6,9H2,1-3H3.
What are the key properties of N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide?
N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 115162888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).