N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide

C14H23NO3 — CID 153102951

IUPACN-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)C(=O)CCCCCC(C)=O
InChIInChI=1S/C14H23NO3/c1-5-13(18)15-14(3,4)12(17)10-8-6-7-9-11(2)16/h5H,1,6-10H2,2-4H3,(H,15,18)
InChIKeyVRKWRBZYDRXCQG-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds9

About N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide

N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide (PubChem CID 153102951) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide
PubChem CID153102951
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)C(=O)CCCCCC(C)=O
InChIInChI=1S/C14H23NO3/c1-5-13(18)15-14(3,4)12(17)10-8-6-7-9-11(2)16/h5H,1,6-10H2,2-4H3,(H,15,18)
InChIKeyVRKWRBZYDRXCQG-UHFFFAOYSA-N
XLogP2.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid
CID 159095160
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
2-hydroxy-7-methyl-6-oxo-7-(prop-2-enoylamino)octanoic acid
CID 158616339
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
2-methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
CID 175046256
N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
CID 134339729
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-tert-butylprop-2-enamide;sulfane
CID 158648389
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide (CID 153102951) is N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(C)C(=O)CCCCCC(C)=O.
What is the InChIKey of N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide?
The InChIKey is VRKWRBZYDRXCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-13(18)15-14(3,4)12(17)10-8-6-7-9-11(2)16/h5H,1,6-10H2,2-4H3,(H,15,18).
What are the key properties of N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide?
N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide has a molecular weight of 253.34 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide is sourced from PubChem (CID 153102951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).