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

C12H22N2O3 — CID 64959233

IUPAC1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
SMILESCCOCCCN1CCC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O3/c1-4-17-9-5-7-14-8-6-10(15)13-12(2,3)11(14)16/h4-9H2,1-3H3,(H,13,15)
InChIKeyMTNSKTNOWWBQMA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

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

1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione (PubChem CID 64959233) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
PubChem CID64959233
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
SMILESCCOCCCN1CCC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O3/c1-4-17-9-5-7-14-8-6-10(15)13-12(2,3)11(14)16/h4-9H2,1-3H3,(H,13,15)
InChIKeyMTNSKTNOWWBQMA-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-(2-ethoxyethyl)-3-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64882280
1-(cyclopentylmethyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64881833
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64958561
1-(2-tert-butylsulfonylethyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 106733766
1-(1-ethoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64967930
1-(3-methoxypropyl)-3-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64881892
9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64959195
3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione
CID 114619325
3,3-dimethyl-1-(2-methylpentyl)-1,4-diazepane-2,5-dione
CID 64882028
4-(3-ethoxypropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958546
1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64967331
1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64959171

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione (CID 64959233) is 1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione is CCOCCCN1CCC(=O)NC(C)(C)C1=O.
What is the InChIKey of 1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione?
The InChIKey is MTNSKTNOWWBQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-17-9-5-7-14-8-6-10(15)13-12(2,3)11(14)16/h4-9H2,1-3H3,(H,13,15).
What are the key properties of 1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione?
1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64959233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).