3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide

C16H24N2O3 — CID 108538519

IUPAC3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
SMILESCC(C)CC(=O)NCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13(2)12-16(20)18-10-9-17-15(19)8-11-21-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyTVXZYOUOURSFQI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.73
Rot. Bonds9

About 3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide

3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide (PubChem CID 108538519) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
PubChem CID108538519
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
SMILESCC(C)CC(=O)NCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13(2)12-16(20)18-10-9-17-15(19)8-11-21-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyTVXZYOUOURSFQI-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.73
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-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide
CID 113052545
N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide
CID 107157346
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide (CID 108538519) is 3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide is CC(C)CC(=O)NCCNC(=O)CCOc1ccccc1.
What is the InChIKey of 3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide?
The InChIKey is TVXZYOUOURSFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(2)12-16(20)18-10-9-17-15(19)8-11-21-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide?
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide has a molecular weight of 292.38 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide is sourced from PubChem (CID 108538519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).