2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide

C13H19N3O3 — CID 16794016

IUPAC2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide
SMILESCC(N)CCc1ccc(OCC(=O)NC(N)=O)cc1
InChIInChI=1S/C13H19N3O3/c1-9(14)2-3-10-4-6-11(7-5-10)19-8-12(17)16-13(15)18/h4-7,9H,2-3,8,14H2,1H3,(H3,15,16,17,18)
InChIKeyJZDVQOAHPVMZDB-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.54
Rot. Bonds6

About 2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide

2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide (PubChem CID 16794016) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide
PubChem CID16794016
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide
SMILESCC(N)CCc1ccc(OCC(=O)NC(N)=O)cc1
InChIInChI=1S/C13H19N3O3/c1-9(14)2-3-10-4-6-11(7-5-10)19-8-12(17)16-13(15)18/h4-7,9H,2-3,8,14H2,1H3,(H3,15,16,17,18)
InChIKeyJZDVQOAHPVMZDB-UHFFFAOYSA-N
XLogP0.54
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-aminobutyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16783381
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide
CID 30072606
N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide
CID 78933968
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
CID 43279744
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
2-[4-(2-aminopropyl)phenoxy]-N-tert-butylacetamide
CID 54930613
N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504090

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide (CID 16794016) is 2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide is CC(N)CCc1ccc(OCC(=O)NC(N)=O)cc1.
What is the InChIKey of 2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide?
The InChIKey is JZDVQOAHPVMZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(14)2-3-10-4-6-11(7-5-10)19-8-12(17)16-13(15)18/h4-7,9H,2-3,8,14H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide?
2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide has a molecular weight of 265.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide is sourced from PubChem (CID 16794016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).