2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide

C16H30N4O3 — CID 27133312

IUPAC2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
SMILESCC(=O)N1CCCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-13(21)20-8-6-7-19(9-10-20)12-15(23)18(5)11-14(22)17-16(2,3)4/h6-12H2,1-5H3,(H,17,22)
InChIKeyXAGNHPCYUZKIGW-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.09
Rot. Bonds4

About 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide

2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 27133312) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID27133312
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
SMILESCC(=O)N1CCCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-13(21)20-8-6-7-19(9-10-20)12-15(23)18(5)11-14(22)17-16(2,3)4/h6-12H2,1-5H3,(H,17,22)
InChIKeyXAGNHPCYUZKIGW-UHFFFAOYSA-N
XLogP-0.09
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide 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-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
CID 60699636
N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide
CID 55627416
N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 9130798
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8904009
2-(4-acetylpiperazin-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9033807
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 60951663
N-tert-butyl-2-[4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 9131357
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 55410550
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide
CID 99785323
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
CID 78808255
1-[4-(3-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]ethanone
CID 79316912

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide (CID 27133312) is 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide is CC(=O)N1CCCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC1.
What is the InChIKey of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is XAGNHPCYUZKIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-13(21)20-8-6-7-19(9-10-20)12-15(23)18(5)11-14(22)17-16(2,3)4/h6-12H2,1-5H3,(H,17,22).
What are the key properties of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide?
2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 326.44 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 27133312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).