3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide

C17H27NO4 — CID 23248959

IUPAC3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide
SMILESCCCCc1ccc(OCOC)c(C(O)CC(=O)N(C)C)c1
InChIInChI=1S/C17H27NO4/c1-5-6-7-13-8-9-16(22-12-21-4)14(10-13)15(19)11-17(20)18(2)3/h8-10,15,19H,5-7,11-12H2,1-4H3
InChIKeyFEDUBCRLAIEQPU-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.52
Rot. Bonds9

About 3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide

3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide (PubChem CID 23248959) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide
PubChem CID23248959
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide
SMILESCCCCc1ccc(OCOC)c(C(O)CC(=O)N(C)C)c1
InChIInChI=1S/C17H27NO4/c1-5-6-7-13-8-9-16(22-12-21-4)14(10-13)15(19)11-17(20)18(2)3/h8-10,15,19H,5-7,11-12H2,1-4H3
InChIKeyFEDUBCRLAIEQPU-UHFFFAOYSA-N
XLogP2.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-butyl-2-fluoro-1-(methoxymethoxy)benzene
CID 58718899
(1R)-1-[2-(methoxymethoxy)-4-propylphenyl]propan-1-ol
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2-(methoxymethoxy)-4-pentadecylbenzoic acid
CID 3756211
N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide
CID 11752201
6-butyl-1-[4-[6-butyl-2,3-bis(methoxymethoxy)naphthalen-1-yl]phenyl]-2,3-bis(methoxymethoxy)naphthalene
CID 122404250
2-[[[3-(3-ethoxy-4-methoxyphenyl)propylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111574735
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
4-(methoxymethoxy)-3-propan-2-ylbenzoic acid
CID 164892352
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
CID 94759931
[4-[ethyl(1-hydroxyethyl)amino]-4-oxobutan-2-yl] 4-butylbenzoate
CID 142769822
5-butyl-2-(3-methylheptoxy)benzoic acid
CID 150528734

Frequently Asked Questions

What is the IUPAC name of 3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide (CID 23248959) is 3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide is CCCCc1ccc(OCOC)c(C(O)CC(=O)N(C)C)c1.
What is the InChIKey of 3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide?
The InChIKey is FEDUBCRLAIEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-5-6-7-13-8-9-16(22-12-21-4)14(10-13)15(19)11-17(20)18(2)3/h8-10,15,19H,5-7,11-12H2,1-4H3.
What are the key properties of 3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide?
3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide has a molecular weight of 309.41 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-N,N-dimethylpropanamide is sourced from PubChem (CID 23248959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).