[acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate

C16H27N3O4 — CID 13228809

IUPAC[acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate
SMILESCC(=O)N(OC(=O)NC1CCCCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H27N3O4/c1-12(20)19(15(21)17-13-8-4-2-5-9-13)23-16(22)18-14-10-6-3-7-11-14/h13-14H,2-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyCYWMOWCOOYBYKZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.85
Rot. Bonds2

About [acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate

[acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate (PubChem CID 13228809) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is [acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate
PubChem CID13228809
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name[acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate
SMILESCC(=O)N(OC(=O)NC1CCCCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H27N3O4/c1-12(20)19(15(21)17-13-8-4-2-5-9-13)23-16(22)18-14-10-6-3-7-11-14/h13-14H,2-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyCYWMOWCOOYBYKZ-UHFFFAOYSA-N
XLogP2.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-cyclohexadecylcarbamate
CID 131977131
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
CID 142518956
N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
propan-2-yl N-cyclooctylcarbamate
CID 116653938
cyclopentylcarbamoperoxoic acid
CID 143557914
cyclohexyl N-cyclopentylcarbamate
CID 127539095
N-cyclohexyl-2-oxopropanamide
CID 12861109
cyclododecyl N-cyclobutylcarbamate
CID 135210614
propan-2-ylcarbamoyl N-cyclohexylcarbamate
CID 154236264
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
cyclohexylcarbamic acid;hydrate
CID 172719994
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 115573886

Frequently Asked Questions

What is the IUPAC name of [acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate?
The IUPAC name of [acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate (CID 13228809) is [acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate.
What is the SMILES notation for [acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate?
The canonical SMILES for [acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate is CC(=O)N(OC(=O)NC1CCCCC1)C(=O)NC1CCCCC1.
What is the InChIKey of [acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate?
The InChIKey is CYWMOWCOOYBYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-12(20)19(15(21)17-13-8-4-2-5-9-13)23-16(22)18-14-10-6-3-7-11-14/h13-14H,2-11H2,1H3,(H,17,21)(H,18,22).
What are the key properties of [acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate?
[acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate has a molecular weight of 325.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate is sourced from PubChem (CID 13228809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).