ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate

C17H25NO3 — CID 60998192

IUPACethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
SMILESCCOC(=O)C(NC1CCCCC1)c1cccc(OC)c1
InChIInChI=1S/C17H25NO3/c1-3-21-17(19)16(18-14-9-5-4-6-10-14)13-8-7-11-15(12-13)20-2/h7-8,11-12,14,16,18H,3-6,9-10H2,1-2H3
InChIKeyOZFRSEBJMNUWEJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.22
Rot. Bonds6

About ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate

ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate (PubChem CID 60998192) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
PubChem CID60998192
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
SMILESCCOC(=O)C(NC1CCCCC1)c1cccc(OC)c1
InChIInChI=1S/C17H25NO3/c1-3-21-17(19)16(18-14-9-5-4-6-10-14)13-8-7-11-15(12-13)20-2/h7-8,11-12,14,16,18H,3-6,9-10H2,1-2H3
InChIKeyOZFRSEBJMNUWEJ-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol
CID 82314292
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
methyl (2R)-2-(3-cyanophenyl)-2-(cyclohexylamino)acetate
CID 97234614

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate (CID 60998192) is ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate is CCOC(=O)C(NC1CCCCC1)c1cccc(OC)c1.
What is the InChIKey of ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate?
The InChIKey is OZFRSEBJMNUWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-21-17(19)16(18-14-9-5-4-6-10-14)13-8-7-11-15(12-13)20-2/h7-8,11-12,14,16,18H,3-6,9-10H2,1-2H3.
What are the key properties of ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate?
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate has a molecular weight of 291.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 60998192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).