3-phenoxy-N-[2-(propylamino)ethyl]propanamide

C14H22N2O2 — CID 62658597

IUPAC3-phenoxy-N-[2-(propylamino)ethyl]propanamide
SMILESCCCNCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-9-15-10-11-16-14(17)8-12-18-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3,(H,16,17)
InChIKeyUXRBJDCBXBZQDY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.57
Rot. Bonds9

About 3-phenoxy-N-[2-(propylamino)ethyl]propanamide

3-phenoxy-N-[2-(propylamino)ethyl]propanamide (PubChem CID 62658597) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-phenoxy-N-[2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[2-(propylamino)ethyl]propanamide
PubChem CID62658597
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-phenoxy-N-[2-(propylamino)ethyl]propanamide
SMILESCCCNCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-9-15-10-11-16-14(17)8-12-18-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3,(H,16,17)
InChIKeyUXRBJDCBXBZQDY-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.57
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

N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552
N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119505213
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[2-(propylamino)ethyl]propanamide?
The IUPAC name of 3-phenoxy-N-[2-(propylamino)ethyl]propanamide (CID 62658597) is 3-phenoxy-N-[2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[2-(propylamino)ethyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[2-(propylamino)ethyl]propanamide is CCCNCCNC(=O)CCOc1ccccc1.
What is the InChIKey of 3-phenoxy-N-[2-(propylamino)ethyl]propanamide?
The InChIKey is UXRBJDCBXBZQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-9-15-10-11-16-14(17)8-12-18-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3,(H,16,17).
What are the key properties of 3-phenoxy-N-[2-(propylamino)ethyl]propanamide?
3-phenoxy-N-[2-(propylamino)ethyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 62658597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).