N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide

C14H23NO3 — CID 103800557

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2C3CCCCC32)O1
InChIInChI=1S/C14H23NO3/c1-14(2)17-8-9(18-14)7-15-13(16)12-10-5-3-4-6-11(10)12/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyDQJYFSMCQDMUTG-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.69
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 103800557) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID103800557
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2C3CCCCC32)O1
InChIInChI=1S/C14H23NO3/c1-14(2)17-8-9(18-14)7-15-13(16)12-10-5-3-4-6-11(10)12/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyDQJYFSMCQDMUTG-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
CID 107389239
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 107388930
4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 107389499
4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
CID 104694629
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine
CID 14747641
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
CID 103800989
1-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentane-1-carboxamide
CID 107389480
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(oxan-2-yl)propanamide
CID 103800478
2-bromo-N,N'-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanediamide
CID 22369352
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 103800436
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide
CID 107390241
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide
CID 107389554

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 103800557) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide is CC1(C)OCC(CNC(=O)C2C3CCCCC32)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is DQJYFSMCQDMUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2)17-8-9(18-14)7-15-13(16)12-10-5-3-4-6-11(10)12/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 103800557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).