2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate

C13H25NO4 — CID 142110329

IUPAC2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate
SMILESCC(C)COC(=O)NC(C(O)O)C1CCCCC1
InChIInChI=1S/C13H25NO4/c1-9(2)8-18-13(17)14-11(12(15)16)10-6-4-3-5-7-10/h9-12,15-16H,3-8H2,1-2H3,(H,14,17)
InChIKeyRDHYAINONAYCMD-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.63
Rot. Bonds5

About 2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate

2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate (PubChem CID 142110329) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate
PubChem CID142110329
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate
SMILESCC(C)COC(=O)NC(C(O)O)C1CCCCC1
InChIInChI=1S/C13H25NO4/c1-9(2)8-18-13(17)14-11(12(15)16)10-6-4-3-5-7-10/h9-12,15-16H,3-8H2,1-2H3,(H,14,17)
InChIKeyRDHYAINONAYCMD-UHFFFAOYSA-N
XLogP1.63
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
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

2-methylpropyl N-(2-amino-1-cyclopentylethyl)carbamate
CID 106737744
2-methylpropyl N-propan-2-ylcarbamate
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CID 118088624
2-methylpropyl 2-cyclohexyl-2-(2,2,2-trichloroethoxycarbonylamino)acetate
CID 91741037
(2S)-1-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 11501269
(2-methylpropoxycarbonylamino) cyclohexanecarboxylate
CID 87874228
2-methylpropyl N-(1,2-diazacyclopentadecen-6-yl)carbamate
CID 141404608
2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate
CID 81392829
2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate
CID 170283768
[2-(4-cyclohexylphenyl)-2-oxoethyl] (2S)-4-amino-2-(2-methylpropoxycarbonylamino)-4-oxobutanoate
CID 126010671
2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate
CID 91172344
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate?
The IUPAC name of 2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate (CID 142110329) is 2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate is CC(C)COC(=O)NC(C(O)O)C1CCCCC1.
What is the InChIKey of 2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate?
The InChIKey is RDHYAINONAYCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9(2)8-18-13(17)14-11(12(15)16)10-6-4-3-5-7-10/h9-12,15-16H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate?
2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate has a molecular weight of 259.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate is sourced from PubChem (CID 142110329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).