N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine

C18H40N2O3 — CID 167491163

IUPACN-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine
SMILESCC(C)(C)C(C)(C)N.CCCOCC(COCC(C)C)NC=O
InChIInChI=1S/C11H23NO3.C7H17N/c1-4-5-14-7-11(12-9-13)8-15-6-10(2)3;1-6(2,3)7(4,5)8/h9-11H,4-8H2,1-3H3,(H,12,13);8H2,1-5H3
InChIKeyWMPIOYYFXKQDOZ-UHFFFAOYSA-N
MW332.53 g/mol
LogP2.97
Rot. Bonds10

About N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine

N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine (PubChem CID 167491163) has the molecular formula C18H40N2O3 and a molecular weight of 332.53 g/mol. Its IUPAC name is N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine
PubChem CID167491163
Molecular FormulaC18H40N2O3
Molecular Weight332.53 g/mol
Exact Mass332.30
IUPAC NameN-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine
SMILESCC(C)(C)C(C)(C)N.CCCOCC(COCC(C)C)NC=O
InChIInChI=1S/C11H23NO3.C7H17N/c1-4-5-14-7-11(12-9-13)8-15-6-10(2)3;1-6(2,3)7(4,5)8/h9-11H,4-8H2,1-3H3,(H,12,13);8H2,1-5H3
InChIKeyWMPIOYYFXKQDOZ-UHFFFAOYSA-N
XLogP2.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine?
The IUPAC name of N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine (CID 167491163) is N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine.
What is the SMILES notation for N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine?
The canonical SMILES for N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine is CC(C)(C)C(C)(C)N.CCCOCC(COCC(C)C)NC=O.
What is the InChIKey of N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine?
The InChIKey is WMPIOYYFXKQDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3.C7H17N/c1-4-5-14-7-11(12-9-13)8-15-6-10(2)3;1-6(2,3)7(4,5)8/h9-11H,4-8H2,1-3H3,(H,12,13);8H2,1-5H3.
What are the key properties of N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine?
N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine has a molecular weight of 332.53 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 167491163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).