3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide

C17H26N2O2 — CID 113123078

IUPAC3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
SMILESCCCCCN(CCC(=O)Nc1cccc(C)c1)C(C)=O
InChIInChI=1S/C17H26N2O2/c1-4-5-6-11-19(15(3)20)12-10-17(21)18-16-9-7-8-14(2)13-16/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,21)
InChIKeySSDUDKOTGSCPDQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.36
Rot. Bonds8

About 3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide

3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide (PubChem CID 113123078) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
PubChem CID113123078
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
SMILESCCCCCN(CCC(=O)Nc1cccc(C)c1)C(C)=O
InChIInChI=1S/C17H26N2O2/c1-4-5-6-11-19(15(3)20)12-10-17(21)18-16-9-7-8-14(2)13-16/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,21)
InChIKeySSDUDKOTGSCPDQ-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113123127
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
3-[acetyl(butyl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113115838
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
CID 113120974
3-[acetyl(pentyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113123152
3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
CID 113122510
3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 113123119
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
CID 113118677
1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
CID 2827356
3-[acetyl(butyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115878

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide (CID 113123078) is 3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide is CCCCCN(CCC(=O)Nc1cccc(C)c1)C(C)=O.
What is the InChIKey of 3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide?
The InChIKey is SSDUDKOTGSCPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-5-6-11-19(15(3)20)12-10-17(21)18-16-9-7-8-14(2)13-16/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,21).
What are the key properties of 3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide?
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113123078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).