N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide

C15H30N2O2 — CID 142477708

IUPACN-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide
SMILESCCCC(=O)NC(C=O)C(C)(C)CC(C)(C)NCC
InChIInChI=1S/C15H30N2O2/c1-7-9-13(19)17-12(10-18)14(3,4)11-15(5,6)16-8-2/h10,12,16H,7-9,11H2,1-6H3,(H,17,19)
InChIKeyDBYMJBWSEVTWID-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.27
Rot. Bonds9

About N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide

N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide (PubChem CID 142477708) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide
PubChem CID142477708
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide
SMILESCCCC(=O)NC(C=O)C(C)(C)CC(C)(C)NCC
InChIInChI=1S/C15H30N2O2/c1-7-9-13(19)17-12(10-18)14(3,4)11-15(5,6)16-8-2/h10,12,16H,7-9,11H2,1-6H3,(H,17,19)
InChIKeyDBYMJBWSEVTWID-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide?
The IUPAC name of N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide (CID 142477708) is N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide.
What is the SMILES notation for N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide?
The canonical SMILES for N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide is CCCC(=O)NC(C=O)C(C)(C)CC(C)(C)NCC.
What is the InChIKey of N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide?
The InChIKey is DBYMJBWSEVTWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-9-13(19)17-12(10-18)14(3,4)11-15(5,6)16-8-2/h10,12,16H,7-9,11H2,1-6H3,(H,17,19).
What are the key properties of N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide?
N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide has a molecular weight of 270.42 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide is sourced from PubChem (CID 142477708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).