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

C17H32N2O4 — CID 57070395

IUPACN-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESC=CCCCC(CN(C=O)OC(C)(C)C)N(C=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-8-9-10-11-15(19(14-21)23-17(5,6)7)12-18(13-20)22-16(2,3)4/h8,13-15H,1,9-12H2,2-7H3
InChIKeySQKKTCNKUDNQEU-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.09
Rot. Bonds11

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

N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57070395) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57070395
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC NameN-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESC=CCCCC(CN(C=O)OC(C)(C)C)N(C=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-8-9-10-11-15(19(14-21)23-17(5,6)7)12-18(13-20)22-16(2,3)4/h8,13-15H,1,9-12H2,2-7H3
InChIKeySQKKTCNKUDNQEU-UHFFFAOYSA-N
XLogP3.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57070395) is N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide is C=CCCCC(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]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is SQKKTCNKUDNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-8-9-10-11-15(19(14-21)23-17(5,6)7)12-18(13-20)22-16(2,3)4/h8,13-15H,1,9-12H2,2-7H3.
What are the key properties of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 328.45 g/mol, XLogP of 3.09, 11 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]hept-6-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57070395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).