N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide

C19H29NO5 — CID 158072710

IUPACN-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide
SMILESCCC(=O)NC(Cc1ccc(OCCOCCOC)c(C)c1)C(C)=O
InChIInChI=1S/C19H29NO5/c1-5-19(22)20-17(15(3)21)13-16-6-7-18(14(2)12-16)25-11-10-24-9-8-23-4/h6-7,12,17H,5,8-11,13H2,1-4H3,(H,20,22)
InChIKeyCMFCTRPLLRLMNU-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.06
Rot. Bonds12

About N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide

N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide (PubChem CID 158072710) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide
PubChem CID158072710
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC NameN-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide
SMILESCCC(=O)NC(Cc1ccc(OCCOCCOC)c(C)c1)C(C)=O
InChIInChI=1S/C19H29NO5/c1-5-19(22)20-17(15(3)21)13-16-6-7-18(14(2)12-16)25-11-10-24-9-8-23-4/h6-7,12,17H,5,8-11,13H2,1-4H3,(H,20,22)
InChIKeyCMFCTRPLLRLMNU-UHFFFAOYSA-N
XLogP2.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide?
The IUPAC name of N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide (CID 158072710) is N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide.
What is the SMILES notation for N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide?
The canonical SMILES for N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide is CCC(=O)NC(Cc1ccc(OCCOCCOC)c(C)c1)C(C)=O.
What is the InChIKey of N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide?
The InChIKey is CMFCTRPLLRLMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-5-19(22)20-17(15(3)21)13-16-6-7-18(14(2)12-16)25-11-10-24-9-8-23-4/h6-7,12,17H,5,8-11,13H2,1-4H3,(H,20,22).
What are the key properties of N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide?
N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide has a molecular weight of 351.44 g/mol, XLogP of 2.06, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3-oxobutan-2-yl]propanamide is sourced from PubChem (CID 158072710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).