3-[4-(3-amino-3-oxopropyl)phenyl]propanamide

C12H16N2O2 — CID 102388205

IUPAC3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
SMILESNC(=O)CCc1ccc(CCC(N)=O)cc1
InChIInChI=1S/C12H16N2O2/c13-11(15)7-5-9-1-2-10(4-3-9)6-8-12(14)16/h1-4H,5-8H2,(H2,13,15)(H2,14,16)
InChIKeyBMYRQXFEJRMDRH-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.52
Rot. Bonds6

About 3-[4-(3-amino-3-oxopropyl)phenyl]propanamide

3-[4-(3-amino-3-oxopropyl)phenyl]propanamide (PubChem CID 102388205) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[4-(3-amino-3-oxopropyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
PubChem CID102388205
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
SMILESNC(=O)CCc1ccc(CCC(N)=O)cc1
InChIInChI=1S/C12H16N2O2/c13-11(15)7-5-9-1-2-10(4-3-9)6-8-12(14)16/h1-4H,5-8H2,(H2,13,15)(H2,14,16)
InChIKeyBMYRQXFEJRMDRH-UHFFFAOYSA-N
XLogP0.52
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-(4-methylphenyl)propanamide
CID 142510251
carbonic acid;3-phenylpropanamide
CID 174965682
3-(4-formylphenyl)propanamide
CID 66485595
carbanide;3-phenylpropanamide;yttrium
CID 160557542
3-[4-(4-fluorophenyl)phenyl]propanamide
CID 150390429
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
CID 170185856
3-(1-methylpyridin-1-ium-4-yl)propanamide iodide
CID 44887403
3-(3-amino-4-chlorophenyl)propanamide
CID 83796770
ethane;4-(4-ethylphenyl)butanamide
CID 142203218

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-amino-3-oxopropyl)phenyl]propanamide?
The IUPAC name of 3-[4-(3-amino-3-oxopropyl)phenyl]propanamide (CID 102388205) is 3-[4-(3-amino-3-oxopropyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(3-amino-3-oxopropyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(3-amino-3-oxopropyl)phenyl]propanamide is NC(=O)CCc1ccc(CCC(N)=O)cc1.
What is the InChIKey of 3-[4-(3-amino-3-oxopropyl)phenyl]propanamide?
The InChIKey is BMYRQXFEJRMDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-11(15)7-5-9-1-2-10(4-3-9)6-8-12(14)16/h1-4H,5-8H2,(H2,13,15)(H2,14,16).
What are the key properties of 3-[4-(3-amino-3-oxopropyl)phenyl]propanamide?
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide has a molecular weight of 220.27 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-amino-3-oxopropyl)phenyl]propanamide is sourced from PubChem (CID 102388205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).