N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide

C19H37NO2 — CID 144654024

IUPACN-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide
SMILESCCC(C)N(CC(C)C)C(=O)C(C(C)C)C1(C)CCOCC1
InChIInChI=1S/C19H37NO2/c1-8-16(6)20(13-14(2)3)18(21)17(15(4)5)19(7)9-11-22-12-10-19/h14-17H,8-13H2,1-7H3
InChIKeyWOZQHTLFNPKPSQ-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.36
Rot. Bonds7

About N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide

N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide (PubChem CID 144654024) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide
PubChem CID144654024
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC NameN-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide
SMILESCCC(C)N(CC(C)C)C(=O)C(C(C)C)C1(C)CCOCC1
InChIInChI=1S/C19H37NO2/c1-8-16(6)20(13-14(2)3)18(21)17(15(4)5)19(7)9-11-22-12-10-19/h14-17H,8-13H2,1-7H3
InChIKeyWOZQHTLFNPKPSQ-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide?
The IUPAC name of N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide (CID 144654024) is N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide is CCC(C)N(CC(C)C)C(=O)C(C(C)C)C1(C)CCOCC1.
What is the InChIKey of N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide?
The InChIKey is WOZQHTLFNPKPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-8-16(6)20(13-14(2)3)18(21)17(15(4)5)19(7)9-11-22-12-10-19/h14-17H,8-13H2,1-7H3.
What are the key properties of N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide?
N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide has a molecular weight of 311.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methyl-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 144654024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).