N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide

C16H24N2O3 — CID 19241919

IUPACN-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESC=CCNC(=O)CCN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C16H24N2O3/c1-5-9-17-12(19)7-10-18-13(20)11-6-8-16(4,14(18)21)15(11,2)3/h5,11H,1,6-10H2,2-4H3,(H,17,19)
InChIKeyAFMPIYKVWLKJIA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.49
Rot. Bonds5

About N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide

N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide (PubChem CID 19241919) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
PubChem CID19241919
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESC=CCNC(=O)CCN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C16H24N2O3/c1-5-9-17-12(19)7-10-18-13(20)11-6-8-16(4,14(18)21)15(11,2)3/h5,11H,1,6-10H2,2-4H3,(H,17,19)
InChIKeyAFMPIYKVWLKJIA-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The IUPAC name of N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide (CID 19241919) is N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide.
What is the SMILES notation for N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The canonical SMILES for N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide is C=CCNC(=O)CCN1C(=O)C2CCC(C)(C1=O)C2(C)C.
What is the InChIKey of N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The InChIKey is AFMPIYKVWLKJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-9-17-12(19)7-10-18-13(20)11-6-8-16(4,14(18)21)15(11,2)3/h5,11H,1,6-10H2,2-4H3,(H,17,19).
What are the key properties of N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide is sourced from PubChem (CID 19241919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).