3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide

C13H18N2O3 — CID 159243938

IUPAC3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide
SMILESNCCOCCC(=O)Nc1cccc(CC=O)c1
InChIInChI=1S/C13H18N2O3/c14-6-9-18-8-5-13(17)15-12-3-1-2-11(10-12)4-7-16/h1-3,7,10H,4-6,8-9,14H2,(H,15,17)
InChIKeyZIPXGCNSQNHEQM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.73
Rot. Bonds8

About 3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide

3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide (PubChem CID 159243938) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide
PubChem CID159243938
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide
SMILESNCCOCCC(=O)Nc1cccc(CC=O)c1
InChIInChI=1S/C13H18N2O3/c14-6-9-18-8-5-13(17)15-12-3-1-2-11(10-12)4-7-16/h1-3,7,10H,4-6,8-9,14H2,(H,15,17)
InChIKeyZIPXGCNSQNHEQM-UHFFFAOYSA-N
XLogP0.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 63684342
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CID 43698497
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
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4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
2-[3-[3-(2,2,2-trifluoroethoxy)propanoylamino]phenyl]acetic acid
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3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
CID 79479318
N-[3-(aminomethyl)phenyl]pent-4-enamide
CID 63254423
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CID 55041403

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide (CID 159243938) is 3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide is NCCOCCC(=O)Nc1cccc(CC=O)c1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide?
The InChIKey is ZIPXGCNSQNHEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-6-9-18-8-5-13(17)15-12-3-1-2-11(10-12)4-7-16/h1-3,7,10H,4-6,8-9,14H2,(H,15,17).
What are the key properties of 3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide?
3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[3-(2-oxoethyl)phenyl]propanamide is sourced from PubChem (CID 159243938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).