2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide

C15H28N2O3 — CID 113160065

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide
SMILESCOCCCN(CC(=O)NC1CCCCCC1)C(C)=O
InChIInChI=1S/C15H28N2O3/c1-13(18)17(10-7-11-20-2)12-15(19)16-14-8-5-3-4-6-9-14/h14H,3-12H2,1-2H3,(H,16,19)
InChIKeyUQVWHGLMWAEUMC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds7

About 2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide

2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide (PubChem CID 113160065) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide
PubChem CID113160065
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide
SMILESCOCCCN(CC(=O)NC1CCCCCC1)C(C)=O
InChIInChI=1S/C15H28N2O3/c1-13(18)17(10-7-11-20-2)12-15(19)16-14-8-5-3-4-6-9-14/h14H,3-12H2,1-2H3,(H,16,19)
InChIKeyUQVWHGLMWAEUMC-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
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-cyclohexylacetamide
CID 113159800
2-[acetyl(butyl)amino]-N-cyclopropylacetamide
CID 113158611
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501
2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
CID 84572779
2-[acetyl(propyl)amino]-N-cyclopropylacetamide
CID 113157902
N-cycloheptyl-3-methoxypropanamide
CID 110839127
3-[acetyl(3-methoxypropyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113117111
3-[acetyl(butyl)amino]-N-cyclopentylpropanamide
CID 113115718
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
N-(3-methoxypropyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113159997
2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide
CID 113159991

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide (CID 113160065) is 2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide is COCCCN(CC(=O)NC1CCCCCC1)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide?
The InChIKey is UQVWHGLMWAEUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(18)17(10-7-11-20-2)12-15(19)16-14-8-5-3-4-6-9-14/h14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide?
2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide has a molecular weight of 284.40 g/mol, XLogP of 1.71, 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-cycloheptylacetamide is sourced from PubChem (CID 113160065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).