N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide

C18H31N3O2 — CID 71903240

IUPACN-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide
SMILESCC1CCC(C(C)C)C(=NNC(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C18H31N3O2/c1-13(2)15-9-8-14(3)11-16(15)19-20-17(22)12-21-10-6-4-5-7-18(21)23/h13-15H,4-12H2,1-3H3,(H,20,22)
InChIKeyKCXPNPFULGWWTA-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.95
Rot. Bonds4

About N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide

N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 71903240) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID71903240
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide
SMILESCC1CCC(C(C)C)C(=NNC(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C18H31N3O2/c1-13(2)15-9-8-14(3)11-16(15)19-20-17(22)12-21-10-6-4-5-7-18(21)23/h13-15H,4-12H2,1-3H3,(H,20,22)
InChIKeyKCXPNPFULGWWTA-UHFFFAOYSA-N
XLogP2.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
2-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9016316
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 156603357
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
N-cyclopropyl-2-oxo-2-[2-[2-(2-oxoazocan-1-yl)acetyl]hydrazinyl]acetamide
CID 55756771
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylacetamide
CID 119427764
(2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid
CID 120614914
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide (CID 71903240) is N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide is CC1CCC(C(C)C)C(=NNC(=O)CN2CCCCCC2=O)C1.
What is the InChIKey of N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is KCXPNPFULGWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-13(2)15-9-8-14(3)11-16(15)19-20-17(22)12-21-10-6-4-5-7-18(21)23/h13-15H,4-12H2,1-3H3,(H,20,22).
What are the key properties of N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide?
N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 321.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 71903240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).