3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide

C16H25N3O2 — CID 119508593

IUPAC3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
SMILESCCNCCNC(=O)CC(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-17-9-10-18-16(21)11-15(19-13(3)20)14-7-5-12(2)6-8-14/h5-8,15,17H,4,9-11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeySZQFOLMXUMHXIX-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.29
Rot. Bonds8

About 3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 119508593) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID119508593
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
SMILESCCNCCNC(=O)CC(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-17-9-10-18-16(21)11-15(19-13(3)20)14-7-5-12(2)6-8-14/h5-8,15,17H,4,9-11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeySZQFOLMXUMHXIX-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 33275005
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564601
3-acetamido-3-(4-methylphenyl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 46520907
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 51195261
3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide
CID 51313145
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
3-acetamido-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(4-methylphenyl)propanamide
CID 55747515

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide (CID 119508593) is 3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide is CCNCCNC(=O)CC(NC(C)=O)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is SZQFOLMXUMHXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-17-9-10-18-16(21)11-15(19-13(3)20)14-7-5-12(2)6-8-14/h5-8,15,17H,4,9-11H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 119508593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).