N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide

C14H24N2O2 — CID 134821654

IUPACN-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide
SMILESCNC(=O)CCNC1C(=O)C2(C)CCC1C2(C)C
InChIInChI=1S/C14H24N2O2/c1-13(2)9-5-7-14(13,3)12(18)11(9)16-8-6-10(17)15-4/h9,11,16H,5-8H2,1-4H3,(H,15,17)
InChIKeySZMCLPCEECBNHQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.11
Rot. Bonds4

About N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide

N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide (PubChem CID 134821654) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide
PubChem CID134821654
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide
SMILESCNC(=O)CCNC1C(=O)C2(C)CCC1C2(C)C
InChIInChI=1S/C14H24N2O2/c1-13(2)9-5-7-14(13,3)12(18)11(9)16-8-6-10(17)15-4/h9,11,16H,5-8H2,1-4H3,(H,15,17)
InChIKeySZMCLPCEECBNHQ-UHFFFAOYSA-N
XLogP1.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide?
The IUPAC name of N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide (CID 134821654) is N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide?
The canonical SMILES for N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide is CNC(=O)CCNC1C(=O)C2(C)CCC1C2(C)C.
What is the InChIKey of N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide?
The InChIKey is SZMCLPCEECBNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2)9-5-7-14(13,3)12(18)11(9)16-8-6-10(17)15-4/h9,11,16H,5-8H2,1-4H3,(H,15,17).
What are the key properties of N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide?
N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide is sourced from PubChem (CID 134821654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).