N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide

C14H28N2O2 — CID 79394303

IUPACN-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide
SMILESCC(C)CCOCCNCCCC(=O)NC1CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)7-10-18-11-9-15-8-3-4-14(17)16-13-5-6-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyUFYBOCFWFMYCSO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds11

About N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide

N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide (PubChem CID 79394303) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide
PubChem CID79394303
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide
SMILESCC(C)CCOCCNCCCC(=O)NC1CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)7-10-18-11-9-15-8-3-4-14(17)16-13-5-6-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyUFYBOCFWFMYCSO-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
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-cyclopropyl-3-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179172
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide
CID 79394457
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
9-methyl-N-(4-propan-2-yloxycyclohexyl)decanamide
CID 166461461
3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol
CID 66006380
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide (CID 79394303) is N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide is CC(C)CCOCCNCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide?
The InChIKey is UFYBOCFWFMYCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)7-10-18-11-9-15-8-3-4-14(17)16-13-5-6-13/h12-13,15H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide?
N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide is sourced from PubChem (CID 79394303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).