2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide

C15H29N3O3 — CID 154751160

IUPAC2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCOCC(C)(C)C(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,12-21-5)14(20)18-8-6-7-17(9-10-18)11-13(19)16(3)4/h6-12H2,1-5H3
InChIKeyLPAJMWBWDPHKBY-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.28
Rot. Bonds5

About 2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide

2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide (PubChem CID 154751160) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
PubChem CID154751160
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCOCC(C)(C)C(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,12-21-5)14(20)18-8-6-7-17(9-10-18)11-13(19)16(3)4/h6-12H2,1-5H3
InChIKeyLPAJMWBWDPHKBY-UHFFFAOYSA-N
XLogP0.28
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
CID 60699636
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
2-[4-(4-hydroxybutanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 79204679
4-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302753
2-[4-(3-chloro-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]acetamide
CID 63665273
2-[4-(5-chloropentanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 60948570
2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 65227500
N,N-dimethyl-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 60963961
N,N-dimethyl-2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]acetamide;ethane
CID 142367549
N,N-dimethyl-2-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 55641955
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 103929106
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 112723927

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide (CID 154751160) is 2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide is COCC(C)(C)C(=O)N1CCCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The InChIKey is LPAJMWBWDPHKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,12-21-5)14(20)18-8-6-7-17(9-10-18)11-13(19)16(3)4/h6-12H2,1-5H3.
What are the key properties of 2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide has a molecular weight of 299.41 g/mol, XLogP of 0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 154751160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).