N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C15H28N2O4 — CID 57045739

IUPACN-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESC=CCC(CN(C=O)OC(C)(C)C)N(C=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-8-9-13(17(12-19)21-15(5,6)7)10-16(11-18)20-14(2,3)4/h8,11-13H,1,9-10H2,2-7H3
InChIKeyVOUDYTQPNBICPZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.31
Rot. Bonds9

About N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57045739) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57045739
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC NameN-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESC=CCC(CN(C=O)OC(C)(C)C)N(C=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-8-9-13(17(12-19)21-15(5,6)7)10-16(11-18)20-14(2,3)4/h8,11-13H,1,9-10H2,2-7H3
InChIKeyVOUDYTQPNBICPZ-UHFFFAOYSA-N
XLogP2.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57070395

Frequently Asked Questions

What is the IUPAC name of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57045739) is N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide is C=CCC(CN(C=O)OC(C)(C)C)N(C=O)OC(C)(C)C.
What is the InChIKey of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is VOUDYTQPNBICPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-8-9-13(17(12-19)21-15(5,6)7)10-16(11-18)20-14(2,3)4/h8,11-13H,1,9-10H2,2-7H3.
What are the key properties of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 300.40 g/mol, XLogP of 2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57045739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).