N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide

C13H27N3O — CID 172511153

IUPACN-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
SMILESCC(C)NC(=O)CN1CCCN(C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)14-13(17)10-15-6-5-7-16(9-8-15)12(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyCMHDVQQIVYOWET-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds4

About N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide

N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide (PubChem CID 172511153) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
PubChem CID172511153
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
SMILESCC(C)NC(=O)CN1CCCN(C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)14-13(17)10-15-6-5-7-16(9-8-15)12(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyCMHDVQQIVYOWET-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid
CID 62823989
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 170709333
4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 57374023
2-(4-methoxypiperazin-1-yl)-N-propan-2-ylacetamide
CID 59857810
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 34782989
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120502572
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833921
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833858

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide (CID 172511153) is N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide is CC(C)NC(=O)CN1CCCN(C(C)C)CC1.
What is the InChIKey of N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide?
The InChIKey is CMHDVQQIVYOWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)14-13(17)10-15-6-5-7-16(9-8-15)12(3)4/h11-12H,5-10H2,1-4H3,(H,14,17).
What are the key properties of N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide?
N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 172511153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).