7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione

C17H24N2O2 — CID 64882430

IUPAC7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CC(C)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-7-15-17(21)19(13(3)10-16(20)18-15)11-14-9-6-5-8-12(14)2/h5-6,8-9,13,15H,4,7,10-11H2,1-3H3,(H,18,20)
InChIKeyLKNJEABHUUXWPN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.40
Rot. Bonds4

About 7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione

7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione (PubChem CID 64882430) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
PubChem CID64882430
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CC(C)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-7-15-17(21)19(13(3)10-16(20)18-15)11-14-9-6-5-8-12(14)2/h5-6,8-9,13,15H,4,7,10-11H2,1-3H3,(H,18,20)
InChIKeyLKNJEABHUUXWPN-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione
CID 64882235
1-[(2,3-dichlorophenyl)methyl]-3-ethyl-7-methyl-1,4-diazepane-2,5-dione
CID 107310601
1-hexyl-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64883007
1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64882619
3-ethyl-7-methyl-1-(pyridin-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64884616
7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64882623
1-[(2,6-difluorophenyl)methyl]-3-ethyl-7-methyl-1,4-diazepane-2,5-dione
CID 114934714
1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64873550
1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64973008
1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 103414916
7-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882972
3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione
CID 82899910

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
The IUPAC name of 7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione (CID 64882430) is 7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione is CCCC1NC(=O)CC(C)N(Cc2ccccc2C)C1=O.
What is the InChIKey of 7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
The InChIKey is LKNJEABHUUXWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-7-15-17(21)19(13(3)10-16(20)18-15)11-14-9-6-5-8-12(14)2/h5-6,8-9,13,15H,4,7,10-11H2,1-3H3,(H,18,20).
What are the key properties of 7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).