2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide

C14H21N3O2 — CID 63588886

IUPAC2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H21N3O2/c1-2-7-16-14(19)10-17-13(18)8-11-3-5-12(9-15)6-4-11/h3-6H,2,7-10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyHQBKPNBACYEBAR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.33
Rot. Bonds7

About 2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide

2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide (PubChem CID 63588886) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
PubChem CID63588886
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H21N3O2/c1-2-7-16-14(19)10-17-13(18)8-11-3-5-12(9-15)6-4-11/h3-6H,2,7-10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyHQBKPNBACYEBAR-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-nitrophenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163121
2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632
2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide
CID 63589774
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide
CID 21340974
2-[4-(aminomethyl)phenyl]-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106333121
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
2-[[2-[4-(aminomethyl)phenyl]acetyl]amino]ethyl carbamate
CID 83202715
2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
CID 63591393
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide (CID 63588886) is 2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide is CCCNC(=O)CNC(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The InChIKey is HQBKPNBACYEBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-7-16-14(19)10-17-13(18)8-11-3-5-12(9-15)6-4-11/h3-6H,2,7-10,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide?
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 63588886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).