2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide

C18H28N2O3 — CID 113160101

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C(C)=O
InChIInChI=1S/C18H28N2O3/c1-14(21)20(11-6-12-23-5)13-17(22)19-16-9-7-15(8-10-16)18(2,3)4/h7-10H,6,11-13H2,1-5H3,(H,19,22)
InChIKeyYWLCUBDWAAYKRA-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.81
Rot. Bonds7

About 2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide

2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide (PubChem CID 113160101) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide
PubChem CID113160101
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C(C)=O
InChIInChI=1S/C18H28N2O3/c1-14(21)20(11-6-12-23-5)13-17(22)19-16-9-7-15(8-10-16)18(2,3)4/h7-10H,6,11-13H2,1-5H3,(H,19,22)
InChIKeyYWLCUBDWAAYKRA-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(2-methoxyethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113159904
2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide
CID 113160115
2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 113160116
3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117197
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
2-[acetyl(3-methoxypropyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113160139
2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113160158
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160686
methyl 4-[[2-[acetyl-[3-(dimethylamino)propyl]amino]acetyl]amino]benzoate
CID 113160912
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031
2-[acetyl(3-methoxypropyl)amino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 42735042

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide (CID 113160101) is 2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide is COCCCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide?
The InChIKey is YWLCUBDWAAYKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(21)20(11-6-12-23-5)13-17(22)19-16-9-7-15(8-10-16)18(2,3)4/h7-10H,6,11-13H2,1-5H3,(H,19,22).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide?
2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 113160101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).