2-(3-butoxypropylamino)-N-cycloheptylacetamide

C16H32N2O2 — CID 115571481

IUPAC2-(3-butoxypropylamino)-N-cycloheptylacetamide
SMILESCCCCOCCCNCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H32N2O2/c1-2-3-12-20-13-8-11-17-14-16(19)18-15-9-6-4-5-7-10-15/h15,17H,2-14H2,1H3,(H,18,19)
InChIKeyJJBUIGAESBEEJI-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.62
Rot. Bonds10

About 2-(3-butoxypropylamino)-N-cycloheptylacetamide

2-(3-butoxypropylamino)-N-cycloheptylacetamide (PubChem CID 115571481) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(3-butoxypropylamino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(3-butoxypropylamino)-N-cycloheptylacetamide
PubChem CID115571481
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(3-butoxypropylamino)-N-cycloheptylacetamide
SMILESCCCCOCCCNCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H32N2O2/c1-2-3-12-20-13-8-11-17-14-16(19)18-15-9-6-4-5-7-10-15/h15,17H,2-14H2,1H3,(H,18,19)
InChIKeyJJBUIGAESBEEJI-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.62
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

N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964270
N-cyclopentyl-2-(4-propan-2-yloxybutylamino)acetamide
CID 114136865
2-(3-butoxypropylamino)-N-cyclohexylpropanamide
CID 115569811
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375
N-(3-butoxypropyl)-2-(cyclopentylamino)acetamide
CID 113219331
N-cycloheptyl-2-(2-cyclohexyloxyethylamino)acetamide
CID 63829111
N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 115518172
N-cyclopentyl-2-(4-hydroxypentylamino)acetamide
CID 106131018
2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide
CID 60980547
N-cycloheptyl-2-[(4-ethylcyclohexyl)methylamino]acetamide
CID 63492902

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropylamino)-N-cycloheptylacetamide?
The IUPAC name of 2-(3-butoxypropylamino)-N-cycloheptylacetamide (CID 115571481) is 2-(3-butoxypropylamino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(3-butoxypropylamino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(3-butoxypropylamino)-N-cycloheptylacetamide is CCCCOCCCNCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(3-butoxypropylamino)-N-cycloheptylacetamide?
The InChIKey is JJBUIGAESBEEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-3-12-20-13-8-11-17-14-16(19)18-15-9-6-4-5-7-10-15/h15,17H,2-14H2,1H3,(H,18,19).
What are the key properties of 2-(3-butoxypropylamino)-N-cycloheptylacetamide?
2-(3-butoxypropylamino)-N-cycloheptylacetamide has a molecular weight of 284.44 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropylamino)-N-cycloheptylacetamide is sourced from PubChem (CID 115571481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).