N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide

C14H25N3O2 — CID 63258592

IUPACN-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
SMILESCC1NCCCN(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-11-14(19)17(9-5-8-15-11)10-13(18)16-12-6-3-2-4-7-12/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyYVXKGRKROAYSDP-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.65
Rot. Bonds3

About N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide

N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide (PubChem CID 63258592) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
PubChem CID63258592
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
SMILESCC1NCCCN(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-11-14(19)17(9-5-8-15-11)10-13(18)16-12-6-3-2-4-7-12/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyYVXKGRKROAYSDP-UHFFFAOYSA-N
XLogP0.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(3-methyl-2-oxopiperazin-1-yl)acetamide
CID 63608173
2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide
CID 63258784
N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
CID 63258995
3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one
CID 115102162
N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
CID 55169562
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide
CID 71882417
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide
CID 63602442
N-(2-methoxyethyl)-2-(3-methyl-2-oxopiperazin-1-yl)acetamide
CID 63600201
1-ethyl-3-methyl-1,4-diazocan-2-one
CID 117016221

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide (CID 63258592) is N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide is CC1NCCCN(CC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide?
The InChIKey is YVXKGRKROAYSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-14(19)17(9-5-8-15-11)10-13(18)16-12-6-3-2-4-7-12/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide?
N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 63258592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).