1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione

C17H32N2O2 — CID 64882753

IUPAC1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione
SMILESCCCCCCCCCCN1C(=O)C(C)NC(=O)CC1C
InChIInChI=1S/C17H32N2O2/c1-4-5-6-7-8-9-10-11-12-19-14(2)13-16(20)18-15(3)17(19)21/h14-15H,4-13H2,1-3H3,(H,18,20)
InChIKeyWHBQQGFHBDWDAP-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.25
Rot. Bonds9

About 1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione

1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione (PubChem CID 64882753) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione
PubChem CID64882753
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione
SMILESCCCCCCCCCCN1C(=O)C(C)NC(=O)CC1C
InChIInChI=1S/C17H32N2O2/c1-4-5-6-7-8-9-10-11-12-19-14(2)13-16(20)18-15(3)17(19)21/h14-15H,4-13H2,1-3H3,(H,18,20)
InChIKeyWHBQQGFHBDWDAP-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64883007
1-hexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883585
3,3,7-trimethyl-1-nonyl-1,4-diazepane-2,5-dione
CID 64884576
6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64874269
1-(2-tert-butylsulfonylethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 106733752
7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione
CID 64882235
3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione
CID 64882100
1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 103414916
1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64882619
2-hexyl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944085
3-hexyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83265031
3-methyl-1-nonylpiperazin-2-one
CID 63608174

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione (CID 64882753) is 1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione is CCCCCCCCCCN1C(=O)C(C)NC(=O)CC1C.
What is the InChIKey of 1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione?
The InChIKey is WHBQQGFHBDWDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-5-6-7-8-9-10-11-12-19-14(2)13-16(20)18-15(3)17(19)21/h14-15H,4-13H2,1-3H3,(H,18,20).
What are the key properties of 1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione?
1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).