3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione

C17H30N2O2 — CID 79361963

IUPAC3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione
SMILESCC(C)CC1NC(=O)CCN(CC2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C17H30N2O2/c1-11(2)9-12-15(21)19(8-7-14(20)18-12)10-13-16(3,4)17(13,5)6/h11-13H,7-10H2,1-6H3,(H,18,20)
InChIKeyBZQVFMGFGOTROG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.43
Rot. Bonds4

About 3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione

3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 79361963) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione
PubChem CID79361963
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione
SMILESCC(C)CC1NC(=O)CCN(CC2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C17H30N2O2/c1-11(2)9-12-15(21)19(8-7-14(20)18-12)10-13-16(3,4)17(13,5)6/h11-13H,7-10H2,1-6H3,(H,18,20)
InChIKeyBZQVFMGFGOTROG-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione (CID 79361963) is 3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione is CC(C)CC1NC(=O)CCN(CC2C(C)(C)C2(C)C)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is BZQVFMGFGOTROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)9-12-15(21)19(8-7-14(20)18-12)10-13-16(3,4)17(13,5)6/h11-13H,7-10H2,1-6H3,(H,18,20).
What are the key properties of 3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione?
3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 79361963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).