4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide

C16H25NO4 — CID 95971990

IUPAC4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)C[C@H](C)O
InChIInChI=1S/C16H25NO4/c1-4-20-14-8-5-6-9-15(14)21-11-7-10-16(19)17(3)12-13(2)18/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3/t13-/m0/s1
InChIKeySEIQWVKSZPGEPX-ZDUSSCGKSA-N
MW295.38 g/mol
LogP2.08
Rot. Bonds9

About 4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide

4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide (PubChem CID 95971990) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
PubChem CID95971990
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)C[C@H](C)O
InChIInChI=1S/C16H25NO4/c1-4-20-14-8-5-6-9-15(14)21-11-7-10-16(19)17(3)12-13(2)18/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3/t13-/m0/s1
InChIKeySEIQWVKSZPGEPX-ZDUSSCGKSA-N
XLogP2.08
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide
CID 55710235
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 31930851
N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide
CID 55377741
4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide
CID 55189164
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
CID 79543922
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide
CID 62335552

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide (CID 95971990) is 4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide is CCOc1ccccc1OCCCC(=O)N(C)C[C@H](C)O.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide?
The InChIKey is SEIQWVKSZPGEPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-20-14-8-5-6-9-15(14)21-11-7-10-16(19)17(3)12-13(2)18/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide?
4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide has a molecular weight of 295.38 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide is sourced from PubChem (CID 95971990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).