5-(3-methylphenoxy)-N-prop-2-ynylpentanamide

C15H19NO2 — CID 60584237

IUPAC5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
SMILESC#CCNC(=O)CCCCOc1cccc(C)c1
InChIInChI=1S/C15H19NO2/c1-3-10-16-15(17)9-4-5-11-18-14-8-6-7-13(2)12-14/h1,6-8,12H,4-5,9-11H2,2H3,(H,16,17)
InChIKeySEQFLJXXEXCPCP-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.29
Rot. Bonds7

About 5-(3-methylphenoxy)-N-prop-2-ynylpentanamide

5-(3-methylphenoxy)-N-prop-2-ynylpentanamide (PubChem CID 60584237) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(3-methylphenoxy)-N-prop-2-ynylpentanamide.

Molecular Properties

Compound Name5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
PubChem CID60584237
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
SMILESC#CCNC(=O)CCCCOc1cccc(C)c1
InChIInChI=1S/C15H19NO2/c1-3-10-16-15(17)9-4-5-11-18-14-8-6-7-13(2)12-14/h1,6-8,12H,4-5,9-11H2,2H3,(H,16,17)
InChIKeySEQFLJXXEXCPCP-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)butanamide
CID 78786017
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
1-(3-methylphenoxy)hex-5-yn-3-one
CID 105076394
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide
CID 78782902
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methylphenoxy)butanamide
CID 104858238
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
N-(4-hydroxy-2-methylbutyl)-4-(3-methylphenoxy)butanamide
CID 66107103

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)-N-prop-2-ynylpentanamide?
The IUPAC name of 5-(3-methylphenoxy)-N-prop-2-ynylpentanamide (CID 60584237) is 5-(3-methylphenoxy)-N-prop-2-ynylpentanamide.
What is the SMILES notation for 5-(3-methylphenoxy)-N-prop-2-ynylpentanamide?
The canonical SMILES for 5-(3-methylphenoxy)-N-prop-2-ynylpentanamide is C#CCNC(=O)CCCCOc1cccc(C)c1.
What is the InChIKey of 5-(3-methylphenoxy)-N-prop-2-ynylpentanamide?
The InChIKey is SEQFLJXXEXCPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-10-16-15(17)9-4-5-11-18-14-8-6-7-13(2)12-14/h1,6-8,12H,4-5,9-11H2,2H3,(H,16,17).
What are the key properties of 5-(3-methylphenoxy)-N-prop-2-ynylpentanamide?
5-(3-methylphenoxy)-N-prop-2-ynylpentanamide has a molecular weight of 245.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)-N-prop-2-ynylpentanamide is sourced from PubChem (CID 60584237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).