ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate

C14H23NO3 — CID 121439164

IUPACethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C14H23NO3/c1-2-18-13(16)9-10-3-7-12(8-4-10)15-14(17)11-5-6-11/h10-12H,2-9H2,1H3,(H,15,17)
InChIKeyNZDBJQXOWIAMIN-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.02
Rot. Bonds5

About ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate

ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate (PubChem CID 121439164) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
PubChem CID121439164
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C14H23NO3/c1-2-18-13(16)9-10-3-7-12(8-4-10)15-14(17)11-5-6-11/h10-12H,2-9H2,1H3,(H,15,17)
InChIKeyNZDBJQXOWIAMIN-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940
N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide
CID 177134529
N-[4-(ethylamino)cyclohexyl]cyclopropanecarboxamide
CID 43653371
2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
CID 115150956
ethyl 2-(1-methanidylpiperidin-1-ium-4-yl)acetate
CID 59130933
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate
CID 121438943
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate (CID 121439164) is ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate is CCOC(=O)CC1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate?
The InChIKey is NZDBJQXOWIAMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-18-13(16)9-10-3-7-12(8-4-10)15-14(17)11-5-6-11/h10-12H,2-9H2,1H3,(H,15,17).
What are the key properties of ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate?
ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate has a molecular weight of 253.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate is sourced from PubChem (CID 121439164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).