2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide

C17H28N2O2 — CID 64720691

IUPAC2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide
SMILESCCNC(C)(CC(C)OCCCc1ccccc1)C(N)=O
InChIInChI=1S/C17H28N2O2/c1-4-19-17(3,16(18)20)13-14(2)21-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14,19H,4,8,11-13H2,1-3H3,(H2,18,20)
InChIKeyRSSBUZLXSNVKGN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.27
Rot. Bonds10

About 2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide

2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide (PubChem CID 64720691) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide
PubChem CID64720691
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide
SMILESCCNC(C)(CC(C)OCCCc1ccccc1)C(N)=O
InChIInChI=1S/C17H28N2O2/c1-4-19-17(3,16(18)20)13-14(2)21-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14,19H,4,8,11-13H2,1-3H3,(H2,18,20)
InChIKeyRSSBUZLXSNVKGN-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.27
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

4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
methyl (2S)-2-(3-phenylpropoxy)propanoate
CID 103337960
methyl (2R)-2-(3-phenylpropoxy)propanoate
CID 103337959
2-methyl-2-(methylamino)-4-(2-phenoxyethoxy)pentanamide
CID 64707362
4-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 64705782
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
2-(ethylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanamide
CID 64705904
4-(3-phenylpropoxy)pentan-2-ol
CID 64720180
2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide
CID 54908231
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852
4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide
CID 64707747
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide (CID 64720691) is 2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide is CCNC(C)(CC(C)OCCCc1ccccc1)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide?
The InChIKey is RSSBUZLXSNVKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-19-17(3,16(18)20)13-14(2)21-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14,19H,4,8,11-13H2,1-3H3,(H2,18,20).
What are the key properties of 2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide?
2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide is sourced from PubChem (CID 64720691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).