N,N-bis(1-ethoxy-2-methylpropyl)formamide

C13H27NO3 — CID 10800407

IUPACN,N-bis(1-ethoxy-2-methylpropyl)formamide
SMILESCCOC(C(C)C)N(C=O)C(OCC)C(C)C
InChIInChI=1S/C13H27NO3/c1-7-16-12(10(3)4)14(9-15)13(11(5)6)17-8-2/h9-13H,7-8H2,1-6H3
InChIKeyDGMCXHBOTKYBSW-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.48
Rot. Bonds9

About N,N-bis(1-ethoxy-2-methylpropyl)formamide

N,N-bis(1-ethoxy-2-methylpropyl)formamide (PubChem CID 10800407) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N,N-bis(1-ethoxy-2-methylpropyl)formamide.

Molecular Properties

Compound NameN,N-bis(1-ethoxy-2-methylpropyl)formamide
PubChem CID10800407
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN,N-bis(1-ethoxy-2-methylpropyl)formamide
SMILESCCOC(C(C)C)N(C=O)C(OCC)C(C)C
InChIInChI=1S/C13H27NO3/c1-7-16-12(10(3)4)14(9-15)13(11(5)6)17-8-2/h9-13H,7-8H2,1-6H3
InChIKeyDGMCXHBOTKYBSW-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-ethoxy-2-methylpropyl)formamide?
The IUPAC name of N,N-bis(1-ethoxy-2-methylpropyl)formamide (CID 10800407) is N,N-bis(1-ethoxy-2-methylpropyl)formamide.
What is the SMILES notation for N,N-bis(1-ethoxy-2-methylpropyl)formamide?
The canonical SMILES for N,N-bis(1-ethoxy-2-methylpropyl)formamide is CCOC(C(C)C)N(C=O)C(OCC)C(C)C.
What is the InChIKey of N,N-bis(1-ethoxy-2-methylpropyl)formamide?
The InChIKey is DGMCXHBOTKYBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-7-16-12(10(3)4)14(9-15)13(11(5)6)17-8-2/h9-13H,7-8H2,1-6H3.
What are the key properties of N,N-bis(1-ethoxy-2-methylpropyl)formamide?
N,N-bis(1-ethoxy-2-methylpropyl)formamide has a molecular weight of 245.36 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-ethoxy-2-methylpropyl)formamide is sourced from PubChem (CID 10800407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).