N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide

C15H23NO4 — CID 86981512

IUPACN-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide
SMILESCOCCOc1ccc(NC(=O)CCOC(C)C)cc1
InChIInChI=1S/C15H23NO4/c1-12(2)19-9-8-15(17)16-13-4-6-14(7-5-13)20-11-10-18-3/h4-7,12H,8-11H2,1-3H3,(H,16,17)
InChIKeySWPGEURLCDGPHT-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.47
Rot. Bonds9

About N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide

N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide (PubChem CID 86981512) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide
PubChem CID86981512
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide
SMILESCOCCOc1ccc(NC(=O)CCOC(C)C)cc1
InChIInChI=1S/C15H23NO4/c1-12(2)19-9-8-15(17)16-13-4-6-14(7-5-13)20-11-10-18-3/h4-7,12H,8-11H2,1-3H3,(H,16,17)
InChIKeySWPGEURLCDGPHT-UHFFFAOYSA-N
XLogP2.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.47
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

5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
2-methoxyethyl 4-[4-(3-methylbutoxy)anilino]-4-oxobutanoate
CID 17339142
2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17339139
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
CID 139895558
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119723419
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
N-(4-butoxyphenyl)butanamide
CID 4939679

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide (CID 86981512) is N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide is COCCOc1ccc(NC(=O)CCOC(C)C)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide?
The InChIKey is SWPGEURLCDGPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-12(2)19-9-8-15(17)16-13-4-6-14(7-5-13)20-11-10-18-3/h4-7,12H,8-11H2,1-3H3,(H,16,17).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide?
N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide has a molecular weight of 281.35 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 86981512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).