4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide

C15H27N3O2 — CID 110811347

IUPAC4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)11-16-14(20)18-8-4-7-17(9-10-18)13(19)12-5-6-12/h12H,4-11H2,1-3H3,(H,16,20)
InChIKeyKBHXYFMHFXWXAK-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.69
Rot. Bonds2

About 4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide

4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide (PubChem CID 110811347) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
PubChem CID110811347
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)11-16-14(20)18-8-4-7-17(9-10-18)13(19)12-5-6-12/h12H,4-11H2,1-3H3,(H,16,20)
InChIKeyKBHXYFMHFXWXAK-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
4-(cyclopropanecarbonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822547
N-(2,2-dimethylpropyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 110749479
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 86999608
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate
CID 110810861
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
4-(cyclopentanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 110364786
N-[(2R)-but-3-yn-2-yl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99827132
N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide
CID 110811940

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide (CID 110811347) is 4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide is CC(C)(C)CNC(=O)N1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide?
The InChIKey is KBHXYFMHFXWXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)11-16-14(20)18-8-4-7-17(9-10-18)13(19)12-5-6-12/h12H,4-11H2,1-3H3,(H,16,20).
What are the key properties of 4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide?
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110811347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).