4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide

C22H42N4O2 — CID 55912276

IUPAC4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide
SMILESCC(C)C(CNC(=O)N1CCCN(CC2CCCCC2)CC1)N1CCOCC1
InChIInChI=1S/C22H42N4O2/c1-19(2)21(25-13-15-28-16-14-25)17-23-22(27)26-10-6-9-24(11-12-26)18-20-7-4-3-5-8-20/h19-21H,3-18H2,1-2H3,(H,23,27)
InChIKeyMMXXLJVMBZYHNC-UHFFFAOYSA-N
MW394.60 g/mol
LogP2.64
Rot. Bonds6

About 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide

4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide (PubChem CID 55912276) has the molecular formula C22H42N4O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide
PubChem CID55912276
Molecular FormulaC22H42N4O2
Molecular Weight394.60 g/mol
Exact Mass394.33
IUPAC Name4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide
SMILESCC(C)C(CNC(=O)N1CCCN(CC2CCCCC2)CC1)N1CCOCC1
InChIInChI=1S/C22H42N4O2/c1-19(2)21(25-13-15-28-16-14-25)17-23-22(27)26-10-6-9-24(11-12-26)18-20-7-4-3-5-8-20/h19-21H,3-18H2,1-2H3,(H,23,27)
InChIKeyMMXXLJVMBZYHNC-UHFFFAOYSA-N
XLogP2.64
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 55911635
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 52608858
2-[[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65223636
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003458
4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
CID 128696754
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119859721
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111930476
4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55769235
4-(cyclohexylmethyl)morpholine
CID 641545
N-(3-ethyl-2-morpholin-4-ylpentyl)-1,4-thiazepane-4-carboxamide
CID 87003452
N-cyclohexyl-2-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111930342
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082704

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide (CID 55912276) is 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide is CC(C)C(CNC(=O)N1CCCN(CC2CCCCC2)CC1)N1CCOCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide?
The InChIKey is MMXXLJVMBZYHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O2/c1-19(2)21(25-13-15-28-16-14-25)17-23-22(27)26-10-6-9-24(11-12-26)18-20-7-4-3-5-8-20/h19-21H,3-18H2,1-2H3,(H,23,27).
What are the key properties of 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide?
4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide has a molecular weight of 394.60 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 55912276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).