propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate

C16H29NO4 — CID 149116857

IUPACpropan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate
SMILESCC(C)OC(=O)CCC(=O)CCCCCNC(=O)C(C)C
InChIInChI=1S/C16H29NO4/c1-12(2)16(20)17-11-7-5-6-8-14(18)9-10-15(19)21-13(3)4/h12-13H,5-11H2,1-4H3,(H,17,20)
InChIKeyQYNNTVBBTONWIY-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.62
Rot. Bonds11

About propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate

propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate (PubChem CID 149116857) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate.

Molecular Properties

Compound Namepropan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate
PubChem CID149116857
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namepropan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate
SMILESCC(C)OC(=O)CCC(=O)CCCCCNC(=O)C(C)C
InChIInChI=1S/C16H29NO4/c1-12(2)16(20)17-11-7-5-6-8-14(18)9-10-15(19)21-13(3)4/h12-13H,5-11H2,1-4H3,(H,17,20)
InChIKeyQYNNTVBBTONWIY-UHFFFAOYSA-N
XLogP2.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 7-(2-methylprop-2-enoylamino)-4-oxoheptanoate
CID 58298969
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide
CID 161489281
propan-2-yl 4-(methoxycarbonylamino)butanoate
CID 14940599
propan-2-yl 3-oxononanoate
CID 57126461
2-methyl-N-(6-oxooct-7-enyl)propanamide
CID 58298973
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
propan-2-yl 4-[4-(2-methylprop-2-enoylamino)butylamino]-4-oxobutanoate
CID 59532979
propan-2-yl undecanoate
CID 3016538
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
10-oxo-10-propan-2-yloxydecanoic acid
CID 10131064

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate?
The IUPAC name of propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate (CID 149116857) is propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate.
What is the SMILES notation for propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate?
The canonical SMILES for propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate is CC(C)OC(=O)CCC(=O)CCCCCNC(=O)C(C)C.
What is the InChIKey of propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate?
The InChIKey is QYNNTVBBTONWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-12(2)16(20)17-11-7-5-6-8-14(18)9-10-15(19)21-13(3)4/h12-13H,5-11H2,1-4H3,(H,17,20).
What are the key properties of propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate?
propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate has a molecular weight of 299.41 g/mol, XLogP of 2.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate is sourced from PubChem (CID 149116857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).