N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide

C15H20N2O2 — CID 112722340

IUPACN-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-4-10-16-11-15(18)17-14(5-2)12-6-8-13(19-3)9-7-12/h1,6-9,14,16H,5,10-11H2,2-3H3,(H,17,18)
InChIKeyWSBSTZNCBIZINA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.49
Rot. Bonds7

About N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide

N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 112722340) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide
PubChem CID112722340
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-4-10-16-11-15(18)17-14(5-2)12-6-8-13(19-3)9-7-12/h1,6-9,14,16H,5,10-11H2,2-3H3,(H,17,18)
InChIKeyWSBSTZNCBIZINA-UHFFFAOYSA-N
XLogP1.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(2-methoxyethylamino)-N-[1-(4-methoxyphenyl)propyl]acetamide;hydrochloride
CID 119689364
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
2-ethoxy-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 60657142
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide (CID 112722340) is N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NC(CC)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is WSBSTZNCBIZINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-10-16-11-15(18)17-14(5-2)12-6-8-13(19-3)9-7-12/h1,6-9,14,16H,5,10-11H2,2-3H3,(H,17,18).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide?
N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 112722340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).