N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide

C24H48N2O2 — CID 146626547

IUPACN-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide
SMILESCCCCC(C)(CC)NC(C(=O)NC(C)C(=O)C(C)(CC)CCCC)C(C)C
InChIInChI=1S/C24H48N2O2/c1-10-14-16-23(8,12-3)21(27)19(7)25-22(28)20(18(5)6)26-24(9,13-4)17-15-11-2/h18-20,26H,10-17H2,1-9H3,(H,25,28)
InChIKeyZZEXCKNXXSXTOH-UHFFFAOYSA-N
MW396.66 g/mol
LogP5.64
Rot. Bonds15

About N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide

N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide (PubChem CID 146626547) has the molecular formula C24H48N2O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide.

Molecular Properties

Compound NameN-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide
PubChem CID146626547
Molecular FormulaC24H48N2O2
Molecular Weight396.66 g/mol
Exact Mass396.37
IUPAC NameN-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide
SMILESCCCCC(C)(CC)NC(C(=O)NC(C)C(=O)C(C)(CC)CCCC)C(C)C
InChIInChI=1S/C24H48N2O2/c1-10-14-16-23(8,12-3)21(27)19(7)25-22(28)20(18(5)6)26-24(9,13-4)17-15-11-2/h18-20,26H,10-17H2,1-9H3,(H,25,28)
InChIKeyZZEXCKNXXSXTOH-UHFFFAOYSA-N
XLogP5.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide?
The IUPAC name of N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide (CID 146626547) is N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide.
What is the SMILES notation for N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide?
The canonical SMILES for N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide is CCCCC(C)(CC)NC(C(=O)NC(C)C(=O)C(C)(CC)CCCC)C(C)C.
What is the InChIKey of N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide?
The InChIKey is ZZEXCKNXXSXTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O2/c1-10-14-16-23(8,12-3)21(27)19(7)25-22(28)20(18(5)6)26-24(9,13-4)17-15-11-2/h18-20,26H,10-17H2,1-9H3,(H,25,28).
What are the key properties of N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide?
N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide has a molecular weight of 396.66 g/mol, XLogP of 5.64, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide is sourced from PubChem (CID 146626547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).