1-(cyclohexylmethylcarbamoyloxy)propyl butanoate

C15H27NO4 — CID 68569190

IUPAC1-(cyclohexylmethylcarbamoyloxy)propyl butanoate
SMILESCCCC(=O)OC(CC)OC(=O)NCC1CCCCC1
InChIInChI=1S/C15H27NO4/c1-3-8-13(17)19-14(4-2)20-15(18)16-11-12-9-6-5-7-10-12/h12,14H,3-11H2,1-2H3,(H,16,18)
InChIKeyIWKQQSAZUOTOIK-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.37
Rot. Bonds7

About 1-(cyclohexylmethylcarbamoyloxy)propyl butanoate

1-(cyclohexylmethylcarbamoyloxy)propyl butanoate (PubChem CID 68569190) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(cyclohexylmethylcarbamoyloxy)propyl butanoate.

Molecular Properties

Compound Name1-(cyclohexylmethylcarbamoyloxy)propyl butanoate
PubChem CID68569190
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(cyclohexylmethylcarbamoyloxy)propyl butanoate
SMILESCCCC(=O)OC(CC)OC(=O)NCC1CCCCC1
InChIInChI=1S/C15H27NO4/c1-3-8-13(17)19-14(4-2)20-15(18)16-11-12-9-6-5-7-10-12/h12,14H,3-11H2,1-2H3,(H,16,18)
InChIKeyIWKQQSAZUOTOIK-UHFFFAOYSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;1-(cyclohexylmethylcarbamoyloxy)propyl acetate
CID 68798909
carbonic acid;[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] butanoate
CID 68567866
ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
CID 144717784
[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate
CID 68568734
[1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate
CID 68568677
4-[[1-(2-methylpropoxy)propoxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 174548547
2-cyclopentylethyl butanoate
CID 142409115
2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate
CID 59928754
3-amino-N-(cyclohexylmethyl)-2-hydroxypentanamide
CID 139329085
N-(cyclopentylmethyl)-2-iminopentanamide
CID 129215557
2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
CID 60648633
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylcarbamoyloxy)propyl butanoate?
The IUPAC name of 1-(cyclohexylmethylcarbamoyloxy)propyl butanoate (CID 68569190) is 1-(cyclohexylmethylcarbamoyloxy)propyl butanoate.
What is the SMILES notation for 1-(cyclohexylmethylcarbamoyloxy)propyl butanoate?
The canonical SMILES for 1-(cyclohexylmethylcarbamoyloxy)propyl butanoate is CCCC(=O)OC(CC)OC(=O)NCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethylcarbamoyloxy)propyl butanoate?
The InChIKey is IWKQQSAZUOTOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-8-13(17)19-14(4-2)20-15(18)16-11-12-9-6-5-7-10-12/h12,14H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 1-(cyclohexylmethylcarbamoyloxy)propyl butanoate?
1-(cyclohexylmethylcarbamoyloxy)propyl butanoate has a molecular weight of 285.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylcarbamoyloxy)propyl butanoate is sourced from PubChem (CID 68569190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).