N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide

C16H32N2O3 — CID 115600082

IUPACN-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
SMILESCOCCOCCCCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H32N2O3/c1-14(16(19)18-15-8-4-3-5-9-15)17-10-6-7-11-21-13-12-20-2/h14-15,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyWKFRRAQMHZPSED-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.86
Rot. Bonds11

About N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide

N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide (PubChem CID 115600082) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
PubChem CID115600082
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC NameN-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
SMILESCOCCOCCCCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H32N2O3/c1-14(16(19)18-15-8-4-3-5-9-15)17-10-6-7-11-21-13-12-20-2/h14-15,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyWKFRRAQMHZPSED-UHFFFAOYSA-N
XLogP1.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 113248240
2-(3-butoxypropylamino)-N-cyclohexylpropanamide
CID 115569811
N-cyclopropyl-2-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179410
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
N-cyclohexyl-2-(2-ethoxyethylamino)propanamide
CID 43591067
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
N-cyclohexyl-2-[(5-hydroxy-4-methylpentyl)amino]propanamide
CID 106160233
N-cyclohexyl-2-(pent-4-ynylamino)propanamide
CID 103711279
N-cyclopentyl-2-[2-(2-methylprop-2-enoxy)ethylamino]propanamide
CID 114467548
1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 110958357
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide?
The IUPAC name of N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide (CID 115600082) is N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide is COCCOCCCCNC(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide?
The InChIKey is WKFRRAQMHZPSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-14(16(19)18-15-8-4-3-5-9-15)17-10-6-7-11-21-13-12-20-2/h14-15,17H,3-13H2,1-2H3,(H,18,19).
What are the key properties of N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide?
N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide has a molecular weight of 300.44 g/mol, XLogP of 1.86, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide is sourced from PubChem (CID 115600082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).