4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide

C17H27NO2 — CID 86997778

IUPAC4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
SMILESCOCCCC(=O)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)12-15-7-9-16(10-8-15)14(3)18-17(19)6-5-11-20-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyBIGFRGXVGZAQBK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.49
Rot. Bonds8

About 4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide

4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide (PubChem CID 86997778) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
PubChem CID86997778
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
SMILESCOCCCC(=O)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)12-15-7-9-16(10-8-15)14(3)18-17(19)6-5-11-20-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyBIGFRGXVGZAQBK-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide
CID 112791697
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 58701778
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7719228
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7719229
2-(3-methoxyphenyl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 42997257
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
(2R)-3-(4-hydroxyphenyl)-2-(4-methoxybutanoylamino)propanoic acid
CID 104904437
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-phenoxyacetamide
CID 42902003
2-(2-methoxyphenoxy)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 2608512
2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide
CID 9092093

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide (CID 86997778) is 4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide is COCCCC(=O)NC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide?
The InChIKey is BIGFRGXVGZAQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)12-15-7-9-16(10-8-15)14(3)18-17(19)6-5-11-20-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,18,19).
What are the key properties of 4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide?
4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide has a molecular weight of 277.41 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 86997778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).