N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide

C16H33N3O2 — CID 22365550

IUPACN-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide
SMILESCC(C)CCC(N)CC(N)C(=O)C(C)NC(=O)CC(C)C
InChIInChI=1S/C16H33N3O2/c1-10(2)6-7-13(17)9-14(18)16(21)12(5)19-15(20)8-11(3)4/h10-14H,6-9,17-18H2,1-5H3,(H,19,20)
InChIKeyOMAXCDFNXDEBTJ-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.59
Rot. Bonds10

About N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide

N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide (PubChem CID 22365550) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide
PubChem CID22365550
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide
SMILESCC(C)CCC(N)CC(N)C(=O)C(C)NC(=O)CC(C)C
InChIInChI=1S/C16H33N3O2/c1-10(2)6-7-13(17)9-14(18)16(21)12(5)19-15(20)8-11(3)4/h10-14H,6-9,17-18H2,1-5H3,(H,19,20)
InChIKeyOMAXCDFNXDEBTJ-UHFFFAOYSA-N
XLogP1.59
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide?
The IUPAC name of N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide (CID 22365550) is N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide is CC(C)CCC(N)CC(N)C(=O)C(C)NC(=O)CC(C)C.
What is the InChIKey of N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide?
The InChIKey is OMAXCDFNXDEBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-10(2)6-7-13(17)9-14(18)16(21)12(5)19-15(20)8-11(3)4/h10-14H,6-9,17-18H2,1-5H3,(H,19,20).
What are the key properties of N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide?
N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide has a molecular weight of 299.46 g/mol, XLogP of 1.59, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-9-methyl-3-oxodecan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 22365550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).