3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide

C13H28N2O2 — CID 106011222

IUPAC3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide
SMILESCCNC(C)CC(=O)NCCCCOC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-14-12(4)10-13(16)15-8-6-7-9-17-11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16)
InChIKeySKSOBADPOHOYIK-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.70
Rot. Bonds10

About 3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide

3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide (PubChem CID 106011222) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide
PubChem CID106011222
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide
SMILESCCNC(C)CC(=O)NCCCCOC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-14-12(4)10-13(16)15-8-6-7-9-17-11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16)
InChIKeySKSOBADPOHOYIK-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
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-butyl-3-(ethylamino)butanamide
CID 62838234
3-(ethylamino)-N-(5-hydroxypentyl)butanamide
CID 107317725
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
3-amino-N-(4-propan-2-yloxybutyl)hexanamide
CID 106011504
N-[3-(dimethylamino)propyl]-3-(ethylamino)butanamide
CID 62839311
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 81086754
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide
CID 163940607
2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
CID 106003646
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide (CID 106011222) is 3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide is CCNC(C)CC(=O)NCCCCOC(C)C.
What is the InChIKey of 3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide?
The InChIKey is SKSOBADPOHOYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-14-12(4)10-13(16)15-8-6-7-9-17-11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide?
3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide has a molecular weight of 244.38 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide is sourced from PubChem (CID 106011222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).