ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate

C18H33NO4 — CID 134521175

IUPACethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate
SMILESCCOC(=O)CC(N(C(=O)OCC)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H33NO4/c1-6-22-16(20)13-15(18(3,4)5)19(17(21)23-7-2)14-11-9-8-10-12-14/h14-15H,6-13H2,1-5H3
InChIKeyJRLLNPLFHKPUTR-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.15
Rot. Bonds6

About ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate

ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate (PubChem CID 134521175) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate
PubChem CID134521175
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Nameethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate
SMILESCCOC(=O)CC(N(C(=O)OCC)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H33NO4/c1-6-22-16(20)13-15(18(3,4)5)19(17(21)23-7-2)14-11-9-8-10-12-14/h14-15H,6-13H2,1-5H3
InChIKeyJRLLNPLFHKPUTR-UHFFFAOYSA-N
XLogP4.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate
CID 134521270
ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate
CID 152645374
ethyl 2-[cyclohexyl(ethyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537665
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978
ethyl 3-tert-butyl-4,4-dimethylpentanoate
CID 22372628
ethyl 4-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 135248445
ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate
CID 115138534
ethyl 3-cyclopentylsulfinylbutanoate
CID 63115480
diethyl 2-cyclohexyloxybutanedioate
CID 139989318
ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate
CID 51891961
ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate
CID 140847908

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate?
The IUPAC name of ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate (CID 134521175) is ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate.
What is the SMILES notation for ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate?
The canonical SMILES for ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate is CCOC(=O)CC(N(C(=O)OCC)C1CCCCC1)C(C)(C)C.
What is the InChIKey of ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate?
The InChIKey is JRLLNPLFHKPUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-6-22-16(20)13-15(18(3,4)5)19(17(21)23-7-2)14-11-9-8-10-12-14/h14-15H,6-13H2,1-5H3.
What are the key properties of ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate?
ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate has a molecular weight of 327.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate is sourced from PubChem (CID 134521175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).