N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide

C14H21N3O3 — CID 84555823

IUPACN-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
SMILESCC(=O)NCCNC(=O)CCCOc1ccccc1N
InChIInChI=1S/C14H21N3O3/c1-11(18)16-8-9-17-14(19)7-4-10-20-13-6-3-2-5-12(13)15/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyQHSZXSBAYKTTKS-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.68
Rot. Bonds8

About N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide

N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide (PubChem CID 84555823) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
PubChem CID84555823
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
SMILESCC(=O)NCCNC(=O)CCCOc1ccccc1N
InChIInChI=1S/C14H21N3O3/c1-11(18)16-8-9-17-14(19)7-4-10-20-13-6-3-2-5-12(13)15/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyQHSZXSBAYKTTKS-UHFFFAOYSA-N
XLogP0.68
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
CID 47038930
N-(2-acetamidoethyl)-4-(2-nitrophenoxy)butanamide
CID 84553535
11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid
CID 84555646
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
CID 108572937
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide?
The IUPAC name of N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide (CID 84555823) is N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide is CC(=O)NCCNC(=O)CCCOc1ccccc1N.
What is the InChIKey of N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide?
The InChIKey is QHSZXSBAYKTTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11(18)16-8-9-17-14(19)7-4-10-20-13-6-3-2-5-12(13)15/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide?
N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide has a molecular weight of 279.34 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide is sourced from PubChem (CID 84555823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).