ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate

C15H27NO3 — CID 68627782

IUPACethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate
SMILESCCOC(=O)CC1(C(N)=O)CC(C)CCC1C(C)C
InChIInChI=1S/C15H27NO3/c1-5-19-13(17)9-15(14(16)18)8-11(4)6-7-12(15)10(2)3/h10-12H,5-9H2,1-4H3,(H2,16,18)
InChIKeyKQIWGAPGFYVTGS-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.50
Rot. Bonds5

About ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate

ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate (PubChem CID 68627782) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate
PubChem CID68627782
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate
SMILESCCOC(=O)CC1(C(N)=O)CC(C)CCC1C(C)C
InChIInChI=1S/C15H27NO3/c1-5-19-13(17)9-15(14(16)18)8-11(4)6-7-12(15)10(2)3/h10-12H,5-9H2,1-4H3,(H2,16,18)
InChIKeyKQIWGAPGFYVTGS-UHFFFAOYSA-N
XLogP2.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-oxoethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66599643
1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 140775967
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720
(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
ethyl 5-methyl-2-propan-2-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 54918638
2-[1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexyl]acetamide
CID 65233567
1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 54908142
1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one
CID 83225587
1-[(2S)-2-[[(3S)-3-aminobut-1-en-2-yl]amino]-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 140775959
ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate
CID 64755856
1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 140775956
tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 125426263

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate?
The IUPAC name of ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate (CID 68627782) is ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate?
The canonical SMILES for ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate is CCOC(=O)CC1(C(N)=O)CC(C)CCC1C(C)C.
What is the InChIKey of ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate?
The InChIKey is KQIWGAPGFYVTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-19-13(17)9-15(14(16)18)8-11(4)6-7-12(15)10(2)3/h10-12H,5-9H2,1-4H3,(H2,16,18).
What are the key properties of ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate?
ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate has a molecular weight of 269.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate is sourced from PubChem (CID 68627782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).