N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide

C13H19NO3 — CID 23551672

IUPACN-methoxy-N-methyl-4-(4-methylphenoxy)butanamide
SMILESCON(C)C(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C13H19NO3/c1-11-6-8-12(9-7-11)17-10-4-5-13(15)14(2)16-3/h6-9H,4-5,10H2,1-3H3
InChIKeyJULOSOQLZCCPRD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.17
Rot. Bonds6

About N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide

N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide (PubChem CID 23551672) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-(4-methylphenoxy)butanamide
PubChem CID23551672
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-methoxy-N-methyl-4-(4-methylphenoxy)butanamide
SMILESCON(C)C(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C13H19NO3/c1-11-6-8-12(9-7-11)17-10-4-5-13(15)14(2)16-3/h6-9H,4-5,10H2,1-3H3
InChIKeyJULOSOQLZCCPRD-UHFFFAOYSA-N
XLogP2.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
methyl 3-[methyl-[4-(4-methylphenoxy)butanoyl]amino]propanoate
CID 61030939
N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide
CID 107202307
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
potassium 4-(4-methylphenoxy)butanoate
CID 19205465
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
CID 86920290
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
CID 142802550
1-hydroxy-4-(4-methylphenoxy)butan-2-one
CID 95437360
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide (CID 23551672) is N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide is CON(C)C(=O)CCCOc1ccc(C)cc1.
What is the InChIKey of N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide?
The InChIKey is JULOSOQLZCCPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11-6-8-12(9-7-11)17-10-4-5-13(15)14(2)16-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide?
N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide has a molecular weight of 237.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 23551672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).