[2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C14H23NO3 — CID 55314858

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCC(=O)NCC1CCCCC1
InChIInChI=1S/C14H23NO3/c1-10-7-12(10)14(17)18-9-13(16)15-8-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyZXUCYZRDYONBEN-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.88
Rot. Bonds5

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 55314858) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID55314858
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCC(=O)NCC1CCCCC1
InChIInChI=1S/C14H23NO3/c1-10-7-12(10)14(17)18-9-13(16)15-8-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyZXUCYZRDYONBEN-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
[2-(cyclohexylmethylamino)-2-oxoethyl] cyclohex-3-ene-1-carboxylate
CID 55313115
N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106123823
trans-[2-(3,3-diphenylpropylamino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019831
trans-[2-(benzylamino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 2093395
trans-[2-(benzylamino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2093394
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
cis-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2080889
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
cis-[2-[(2-methylphenyl)methylamino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230512
methyl 4-[[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]methyl]benzoate
CID 8020683

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 55314858) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is CC1CC1C(=O)OCC(=O)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is ZXUCYZRDYONBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-7-12(10)14(17)18-9-13(16)15-8-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 55314858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).