N-[4-(3-aminopropanoyl)phenyl]acetamide

C11H14N2O2 — CID 82341482

IUPACN-[4-(3-aminopropanoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCN)cc1
InChIInChI=1S/C11H14N2O2/c1-8(14)13-10-4-2-9(3-5-10)11(15)6-7-12/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyQHDYRMYKLPVXQK-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.18
Rot. Bonds4

About N-[4-(3-aminopropanoyl)phenyl]acetamide

N-[4-(3-aminopropanoyl)phenyl]acetamide (PubChem CID 82341482) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[4-(3-aminopropanoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-aminopropanoyl)phenyl]acetamide
PubChem CID82341482
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[4-(3-aminopropanoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCN)cc1
InChIInChI=1S/C11H14N2O2/c1-8(14)13-10-4-2-9(3-5-10)11(15)6-7-12/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyQHDYRMYKLPVXQK-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
N-(4-nonanoylphenyl)acetamide
CID 65449309
N-[4-(3-cyanopropanoyl)phenyl]acetamide
CID 2807363
[4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium
CID 58053073
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
5-(4-acetamidophenyl)-5-oxopentanoic acid;5-(4-aminophenyl)-5-oxopentanoic acid
CID 158553917
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
N-[4-[4-(diethylamino)butanoyl]phenyl]acetamide
CID 160663659
N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 54601120
N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide
CID 103206455
4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298256
N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide
CID 17384153

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropanoyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-aminopropanoyl)phenyl]acetamide (CID 82341482) is N-[4-(3-aminopropanoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-aminopropanoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-aminopropanoyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CCN)cc1.
What is the InChIKey of N-[4-(3-aminopropanoyl)phenyl]acetamide?
The InChIKey is QHDYRMYKLPVXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(14)13-10-4-2-9(3-5-10)11(15)6-7-12/h2-5H,6-7,12H2,1H3,(H,13,14).
What are the key properties of N-[4-(3-aminopropanoyl)phenyl]acetamide?
N-[4-(3-aminopropanoyl)phenyl]acetamide has a molecular weight of 206.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropanoyl)phenyl]acetamide is sourced from PubChem (CID 82341482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).