2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide

C14H21NO4 — CID 115409892

IUPAC2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NOCC(C)C)cc1
InChIInChI=1S/C14H21NO4/c1-10(2)9-18-15-14(16)11(3)19-13-7-5-12(17-4)6-8-13/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyHHXLZFZXQHAWNG-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.17
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide

2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide (PubChem CID 115409892) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide
PubChem CID115409892
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NOCC(C)C)cc1
InChIInChI=1S/C14H21NO4/c1-10(2)9-18-15-14(16)11(3)19-13-7-5-12(17-4)6-8-13/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyHHXLZFZXQHAWNG-UHFFFAOYSA-N
XLogP2.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)-2-phenoxypropanamide
CID 113304383
N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide
CID 79676608
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide
CID 115410151
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442
2-(4-methoxyphenoxy)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17074273
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
CID 93306205
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide (CID 115409892) is 2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide is COc1ccc(OC(C)C(=O)NOCC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide?
The InChIKey is HHXLZFZXQHAWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(2)9-18-15-14(16)11(3)19-13-7-5-12(17-4)6-8-13/h5-8,10-11H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide?
2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide has a molecular weight of 267.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide is sourced from PubChem (CID 115409892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).