N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide

C16H32N2O2 — CID 123805060

IUPACN-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide
SMILESCC(C)C=CC(=O)NCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C16H32N2O2/c1-13(2)7-8-14(19)18-11-9-16(5,6)20-12-10-15(3,4)17/h7-8,13H,9-12,17H2,1-6H3,(H,18,19)
InChIKeyMTBSZPYHZSAKHC-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.63
Rot. Bonds9

About N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide

N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide (PubChem CID 123805060) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide.

Molecular Properties

Compound NameN-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide
PubChem CID123805060
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide
SMILESCC(C)C=CC(=O)NCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C16H32N2O2/c1-13(2)7-8-14(19)18-11-9-16(5,6)20-12-10-15(3,4)17/h7-8,13H,9-12,17H2,1-6H3,(H,18,19)
InChIKeyMTBSZPYHZSAKHC-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide?
The IUPAC name of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide (CID 123805060) is N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide.
What is the SMILES notation for N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide?
The canonical SMILES for N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide is CC(C)C=CC(=O)NCCC(C)(C)OCCC(C)(C)N.
What is the InChIKey of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide?
The InChIKey is MTBSZPYHZSAKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)7-8-14(19)18-11-9-16(5,6)20-12-10-15(3,4)17/h7-8,13H,9-12,17H2,1-6H3,(H,18,19).
What are the key properties of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide?
N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide has a molecular weight of 284.44 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-methylpent-2-enamide is sourced from PubChem (CID 123805060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).