4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide

C15H23NO3 — CID 86920290

IUPAC4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
SMILESCOc1ccc(OCCCC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-12(2)16(3)15(17)6-5-11-19-14-9-7-13(18-4)8-10-14/h7-10,12H,5-6,11H2,1-4H3
InChIKeyKDUNMTBFGBVOCP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.72
Rot. Bonds7

About 4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide

4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide (PubChem CID 86920290) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
PubChem CID86920290
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
SMILESCOc1ccc(OCCCC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-12(2)16(3)15(17)6-5-11-19-14-9-7-13(18-4)8-10-14/h7-10,12H,5-6,11H2,1-4H3
InChIKeyKDUNMTBFGBVOCP-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43573753
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
2-[4-(4-bromophenoxy)butanoyl-methylamino]propanoic acid
CID 62626731
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
N-methyl-4-(4-methylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 94815849
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528
N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 82354393
N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide
CID 23551672
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide (CID 86920290) is 4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide is COc1ccc(OCCCC(=O)N(C)C(C)C)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide?
The InChIKey is KDUNMTBFGBVOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)16(3)15(17)6-5-11-19-14-9-7-13(18-4)8-10-14/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide?
4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide has a molecular weight of 265.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 86920290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).