methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate

C17H25NO3 — CID 60998071

IUPACmethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate
SMILESCOC(=O)C(C)(NC1CCCCC1)c1cccc(OC)c1
InChIInChI=1S/C17H25NO3/c1-17(16(19)21-3,18-14-9-5-4-6-10-14)13-8-7-11-15(12-13)20-2/h7-8,11-12,14,18H,4-6,9-10H2,1-3H3
InChIKeyAJEHDKFQDSHEAT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.01
Rot. Bonds5

About methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate

methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate (PubChem CID 60998071) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate
PubChem CID60998071
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate
SMILESCOC(=O)C(C)(NC1CCCCC1)c1cccc(OC)c1
InChIInChI=1S/C17H25NO3/c1-17(16(19)21-3,18-14-9-5-4-6-10-14)13-8-7-11-15(12-13)20-2/h7-8,11-12,14,18H,4-6,9-10H2,1-3H3
InChIKeyAJEHDKFQDSHEAT-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopentylamino)-2-(3-methoxyphenyl)propanoate
CID 60998640
methyl 2-(3-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60997710
methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate
CID 54893864
methyl 2-(cyclohexylamino)-2-(4-methoxyphenyl)propanoate
CID 60998069
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
CID 155757771
methyl 2-(4-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60998554
methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
CID 60997593
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60998770
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanamide
CID 54894241

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate?
The IUPAC name of methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate (CID 60998071) is methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate is COC(=O)C(C)(NC1CCCCC1)c1cccc(OC)c1.
What is the InChIKey of methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate?
The InChIKey is AJEHDKFQDSHEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(16(19)21-3,18-14-9-5-4-6-10-14)13-8-7-11-15(12-13)20-2/h7-8,11-12,14,18H,4-6,9-10H2,1-3H3.
What are the key properties of methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate?
methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate has a molecular weight of 291.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 60998071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).