N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide

C20H32N2O4 — CID 59364622

IUPACN-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide
SMILESCC1CC2(C)OC2CC1C(=O)NCCNC(=O)C1CC2OC2(C)CC1C
InChIInChI=1S/C20H32N2O4/c1-11-9-19(3)15(25-19)7-13(11)17(23)21-5-6-22-18(24)14-8-16-20(4,26-16)10-12(14)2/h11-16H,5-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyJVWXROIUSHYGIJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.63
Rot. Bonds5

About N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide

N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide (PubChem CID 59364622) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide
PubChem CID59364622
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC NameN-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide
SMILESCC1CC2(C)OC2CC1C(=O)NCCNC(=O)C1CC2OC2(C)CC1C
InChIInChI=1S/C20H32N2O4/c1-11-9-19(3)15(25-19)7-13(11)17(23)21-5-6-22-18(24)14-8-16-20(4,26-16)10-12(14)2/h11-16H,5-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyJVWXROIUSHYGIJ-UHFFFAOYSA-N
XLogP1.63
TPSA83.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide
CID 89277269
propan-2-yl 4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59735559
1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-9-methyldecan-1-one
CID 143250461
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethenyl 4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59720790
ethyl 1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methylcarbamoyl]-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59364608
N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
CID 24711673
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
N-(3-cyanopropyl)-2-methylcyclopropane-1-carboxamide
CID 62667763
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide
CID 94816215
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide?
The IUPAC name of N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide (CID 59364622) is N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide.
What is the SMILES notation for N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide?
The canonical SMILES for N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide is CC1CC2(C)OC2CC1C(=O)NCCNC(=O)C1CC2OC2(C)CC1C.
What is the InChIKey of N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide?
The InChIKey is JVWXROIUSHYGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-11-9-19(3)15(25-19)7-13(11)17(23)21-5-6-22-18(24)14-8-16-20(4,26-16)10-12(14)2/h11-16H,5-10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide?
N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide is sourced from PubChem (CID 59364622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).