N-(2-acetamidoethyl)-3-phenoxypropanamide

C13H18N2O3 — CID 46684252

IUPACN-(2-acetamidoethyl)-3-phenoxypropanamide
SMILESCC(=O)NCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-11(16)14-8-9-15-13(17)7-10-18-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyXXRXYDOVKFLTLF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.71
Rot. Bonds7

About N-(2-acetamidoethyl)-3-phenoxypropanamide

N-(2-acetamidoethyl)-3-phenoxypropanamide (PubChem CID 46684252) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-phenoxypropanamide
PubChem CID46684252
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(2-acetamidoethyl)-3-phenoxypropanamide
SMILESCC(=O)NCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-11(16)14-8-9-15-13(17)7-10-18-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyXXRXYDOVKFLTLF-UHFFFAOYSA-N
XLogP0.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-acetamidoethyl)-3-phenoxypropanamide (CID 46684252) is N-(2-acetamidoethyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-phenoxypropanamide is CC(=O)NCCNC(=O)CCOc1ccccc1.
What is the InChIKey of N-(2-acetamidoethyl)-3-phenoxypropanamide?
The InChIKey is XXRXYDOVKFLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-11(16)14-8-9-15-13(17)7-10-18-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-acetamidoethyl)-3-phenoxypropanamide?
N-(2-acetamidoethyl)-3-phenoxypropanamide has a molecular weight of 250.30 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-phenoxypropanamide is sourced from PubChem (CID 46684252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).