2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide

C14H20N2O3 — CID 119404836

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCCCN
InChIInChI=1S/C14H20N2O3/c1-10(17)11-4-5-13(19-2)12(8-11)9-14(18)16-7-3-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyGJAPYQVKZXHVSQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.91
Rot. Bonds7

About 2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide

2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide (PubChem CID 119404836) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
PubChem CID119404836
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCCCN
InChIInChI=1S/C14H20N2O3/c1-10(17)11-4-5-13(19-2)12(8-11)9-14(18)16-7-3-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyGJAPYQVKZXHVSQ-UHFFFAOYSA-N
XLogP0.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662
2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429487
2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide
CID 78789004
2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536768
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534636
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-4-methylpentan-2-yl)acetamide
CID 119585445
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 31146981
2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830590
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
2-(5-acetyl-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)acetamide
CID 30843617

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide (CID 119404836) is 2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide is COc1ccc(C(C)=O)cc1CC(=O)NCCCN.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide?
The InChIKey is GJAPYQVKZXHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(17)11-4-5-13(19-2)12(8-11)9-14(18)16-7-3-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide is sourced from PubChem (CID 119404836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).