2-(3-butoxypropylamino)-N-cyclohexylpropanamide

C16H32N2O2 — CID 115569811

IUPAC2-(3-butoxypropylamino)-N-cyclohexylpropanamide
SMILESCCCCOCCCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-3-4-12-20-13-8-11-17-14(2)16(19)18-15-9-6-5-7-10-15/h14-15,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyLRWXQPFTULMONK-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.62
Rot. Bonds10

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

2-(3-butoxypropylamino)-N-cyclohexylpropanamide (PubChem CID 115569811) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(3-butoxypropylamino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(3-butoxypropylamino)-N-cyclohexylpropanamide
PubChem CID115569811
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(3-butoxypropylamino)-N-cyclohexylpropanamide
SMILESCCCCOCCCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-3-4-12-20-13-8-11-17-14(2)16(19)18-15-9-6-5-7-10-15/h14-15,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyLRWXQPFTULMONK-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

2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 115600082
N-cyclohexyl-2-(2-ethoxyethylamino)propanamide
CID 43591067
N-cyclopropyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 113248240
N-cyclohexyl-2-(pent-4-ynylamino)propanamide
CID 103711279
N-cyclohexyl-2-[(5-hydroxy-4-methylpentyl)amino]propanamide
CID 106160233
2-(3-butoxypropylamino)-N-cycloheptylacetamide
CID 115571481
2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide
CID 115577400
N-cyclopentyl-2-[2-(2-methylprop-2-enoxy)ethylamino]propanamide
CID 114467548
N-cyclopropyl-2-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179410
(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide
CID 95125590

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropylamino)-N-cyclohexylpropanamide?
The IUPAC name of 2-(3-butoxypropylamino)-N-cyclohexylpropanamide (CID 115569811) is 2-(3-butoxypropylamino)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(3-butoxypropylamino)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(3-butoxypropylamino)-N-cyclohexylpropanamide is CCCCOCCCNC(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(3-butoxypropylamino)-N-cyclohexylpropanamide?
The InChIKey is LRWXQPFTULMONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-4-12-20-13-8-11-17-14(2)16(19)18-15-9-6-5-7-10-15/h14-15,17H,3-13H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-butoxypropylamino)-N-cyclohexylpropanamide?
2-(3-butoxypropylamino)-N-cyclohexylpropanamide 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-cyclohexylpropanamide is sourced from PubChem (CID 115569811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).