N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide

C11H22N2O2 — CID 57307968

IUPACN-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide
SMILESCC(C1CCNC1)N(C=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-9(10-5-6-12-7-10)13(8-14)15-11(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyIVPHKYICDLZVOM-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.17
Rot. Bonds4

About N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide

N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide (PubChem CID 57307968) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide
PubChem CID57307968
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide
SMILESCC(C1CCNC1)N(C=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-9(10-5-6-12-7-10)13(8-14)15-11(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyIVPHKYICDLZVOM-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide (CID 57307968) is N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide is CC(C1CCNC1)N(C=O)OC(C)(C)C.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide?
The InChIKey is IVPHKYICDLZVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(10-5-6-12-7-10)13(8-14)15-11(2,3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide?
N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide has a molecular weight of 214.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide is sourced from PubChem (CID 57307968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).