4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one

C11H22N2O2 — CID 117023648

IUPAC4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one
SMILESCOCCCN1CC(C)(C)NCCC1=O
InChIInChI=1S/C11H22N2O2/c1-11(2)9-13(7-4-8-15-3)10(14)5-6-12-11/h12H,4-9H2,1-3H3
InChIKeyJWMGZQILAMQGDX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About 4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one

4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one (PubChem CID 117023648) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one
PubChem CID117023648
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one
SMILESCOCCCN1CC(C)(C)NCCC1=O
InChIInChI=1S/C11H22N2O2/c1-11(2)9-13(7-4-8-15-3)10(14)5-6-12-11/h12H,4-9H2,1-3H3
InChIKeyJWMGZQILAMQGDX-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
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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Related Compounds

1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one
CID 63602475
1-(3-methoxypropyl)-3,3-dimethyl-1,4-diazocan-2-one
CID 117016400
5-ethyl-3-(3-methoxypropyl)-5-methylimidazolidin-4-one
CID 83244125
1-[3-(dimethylamino)propyl]-7,7-dimethyl-1,5-diazocan-2-one
CID 117014943
1-(3-methoxypropyl)-3-methylpiperazin-2-one
CID 63608171
1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine
CID 103414045
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one
CID 117023640
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
2-(3-methoxypropyl)-9-[(3-methylsulfanylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70724783
2-(3-methoxypropyl)-9-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70778884
3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one
CID 59109305

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one?
The IUPAC name of 4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one (CID 117023648) is 4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one?
The canonical SMILES for 4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one is COCCCN1CC(C)(C)NCCC1=O.
What is the InChIKey of 4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one?
The InChIKey is JWMGZQILAMQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2)9-13(7-4-8-15-3)10(14)5-6-12-11/h12H,4-9H2,1-3H3.
What are the key properties of 4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one?
4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 117023648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).