1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione

C14H26N2O2 — CID 64971614

IUPAC1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
SMILESCCC(CC)C(C)N1CCC(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H26N2O2/c1-6-11(7-2)10(3)16-9-8-12(17)15-14(4,5)13(16)18/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyANEXYLDQTSPOPW-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds4

About 1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione

1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione (PubChem CID 64971614) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
PubChem CID64971614
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
SMILESCCC(CC)C(C)N1CCC(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H26N2O2/c1-6-11(7-2)10(3)16-9-8-12(17)15-14(4,5)13(16)18/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyANEXYLDQTSPOPW-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-ethylpentan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64971625
3,3-dimethyl-1-(4-methylpentan-2-yl)-1,4-diazepane-2,5-dione
CID 64960141
1-(1-methoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64956609
3,3-dimethyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
CID 64971505
1-(1-ethoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64967930
3,3-dimethyl-1-octan-2-yl-1,4-diazepane-2,5-dione
CID 64964979
3,3-dimethyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione
CID 64972630
3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
CID 64958170
3,3-dimethyl-1-(2-methylpentyl)-1,4-diazepane-2,5-dione
CID 64882028
3,3-dimethyl-1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966335
3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
CID 64971507
1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione
CID 64969014

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione (CID 64971614) is 1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione is CCC(CC)C(C)N1CCC(=O)NC(C)(C)C1=O.
What is the InChIKey of 1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione?
The InChIKey is ANEXYLDQTSPOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-11(7-2)10(3)16-9-8-12(17)15-14(4,5)13(16)18/h10-11H,6-9H2,1-5H3,(H,15,17).
What are the key properties of 1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione?
1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64971614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).