2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide

C15H30N4O2 — CID 65292332

IUPAC2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide
SMILESCC(N)CCCC(C)C(=O)N1CCCN(CC(N)=O)CC1
InChIInChI=1S/C15H30N4O2/c1-12(5-3-6-13(2)16)15(21)19-8-4-7-18(9-10-19)11-14(17)20/h12-13H,3-11,16H2,1-2H3,(H2,17,20)
InChIKeyPVYRPCWRQOQIMP-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.16
Rot. Bonds7

About 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide

2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 65292332) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide
PubChem CID65292332
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide
SMILESCC(N)CCCC(C)C(=O)N1CCCN(CC(N)=O)CC1
InChIInChI=1S/C15H30N4O2/c1-12(5-3-6-13(2)16)15(21)19-8-4-7-18(9-10-19)11-14(17)20/h12-13H,3-11,16H2,1-2H3,(H2,17,20)
InChIKeyPVYRPCWRQOQIMP-UHFFFAOYSA-N
XLogP0.16
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-chloro-2-methylpropanoyl)-1,4-diazepan-1-yl]acetamide
CID 55111046
6-amino-1-(4-ethylpiperazin-1-yl)-2-methylheptan-1-one
CID 65292796
2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide
CID 54873478
4-[4-(2-amino-2-oxoethyl)-1,4-diazepan-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497872
2-[4-(2-methylhexanoyl)-1,4-diazepan-1-yl]acetic acid
CID 114246008
3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile
CID 115348007
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
2-[4-(2-bromobutanoyl)-1,4-diazepan-1-yl]acetamide
CID 62855599
2-[4-(3-amino-2-methylpropanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825510
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one
CID 43251391
4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888932
2-(azetidin-1-yl)acetamide
CID 18923030

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide (CID 65292332) is 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide is CC(N)CCCC(C)C(=O)N1CCCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is PVYRPCWRQOQIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-12(5-3-6-13(2)16)15(21)19-8-4-7-18(9-10-19)11-14(17)20/h12-13H,3-11,16H2,1-2H3,(H2,17,20).
What are the key properties of 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 298.43 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 65292332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).