N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide

C15H26N2O — CID 71792462

IUPACN-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide
SMILESC=CCCC(=O)NCC#CCN(C(C)C)C(C)C
InChIInChI=1S/C15H26N2O/c1-6-7-10-15(18)16-11-8-9-12-17(13(2)3)14(4)5/h6,13-14H,1,7,10-12H2,2-5H3,(H,16,18)
InChIKeyUXHBZNKPTCXXPT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.19
Rot. Bonds7

About N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide

N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide (PubChem CID 71792462) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide.

Molecular Properties

Compound NameN-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide
PubChem CID71792462
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide
SMILESC=CCCC(=O)NCC#CCN(C(C)C)C(C)C
InChIInChI=1S/C15H26N2O/c1-6-7-10-15(18)16-11-8-9-12-17(13(2)3)14(4)5/h6,13-14H,1,7,10-12H2,2-5H3,(H,16,18)
InChIKeyUXHBZNKPTCXXPT-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide?
The IUPAC name of N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide (CID 71792462) is N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide.
What is the SMILES notation for N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide?
The canonical SMILES for N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide is C=CCCC(=O)NCC#CCN(C(C)C)C(C)C.
What is the InChIKey of N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide?
The InChIKey is UXHBZNKPTCXXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-7-10-15(18)16-11-8-9-12-17(13(2)3)14(4)5/h6,13-14H,1,7,10-12H2,2-5H3,(H,16,18).
What are the key properties of N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide?
N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide has a molecular weight of 250.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[di(propan-2-yl)amino]but-2-ynyl]pent-4-enamide is sourced from PubChem (CID 71792462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).