2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide

C13H26N4O2 — CID 54873478

IUPAC2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide
SMILESCC(C)CC(N)C(=O)N1CCCN(CC(N)=O)CC1
InChIInChI=1S/C13H26N4O2/c1-10(2)8-11(14)13(19)17-5-3-4-16(6-7-17)9-12(15)18/h10-11H,3-9,14H2,1-2H3,(H2,15,18)
InChIKeyFOHXGGSNNHSJAF-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.62
Rot. Bonds5

About 2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide

2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 54873478) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide
PubChem CID54873478
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide
SMILESCC(C)CC(N)C(=O)N1CCCN(CC(N)=O)CC1
InChIInChI=1S/C13H26N4O2/c1-10(2)8-11(14)13(19)17-5-3-4-16(6-7-17)9-12(15)18/h10-11H,3-9,14H2,1-2H3,(H2,15,18)
InChIKeyFOHXGGSNNHSJAF-UHFFFAOYSA-N
XLogP-0.62
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 119844101
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
4-[4-(2-amino-2-oxoethyl)-1,4-diazepan-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497872
2-[4-(3-chloro-2-methylpropanoyl)-1,4-diazepan-1-yl]acetamide
CID 55111046
2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide
CID 65292332
2-[4-(2-bromobutanoyl)-1,4-diazepan-1-yl]acetamide
CID 62855599
(2S)-2-amino-4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119834293
(2S)-2-amino-4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 61259797
(2S)-2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119836743
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride
CID 119876752
2-(azetidin-1-yl)acetamide
CID 18923030

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide (CID 54873478) is 2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide is CC(C)CC(N)C(=O)N1CCCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is FOHXGGSNNHSJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(2)8-11(14)13(19)17-5-3-4-16(6-7-17)9-12(15)18/h10-11H,3-9,14H2,1-2H3,(H2,15,18).
What are the key properties of 2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 270.38 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 54873478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).