ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate

C16H23NO4 — CID 61001735

IUPACethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1ccc(O)c(OCC)c1
InChIInChI=1S/C16H23NO4/c1-3-20-14-9-12(7-8-13(14)18)15(16(19)21-4-2)17-10-11-5-6-11/h7-9,11,15,17-18H,3-6,10H2,1-2H3
InChIKeyHGKNPXYEFYKLTP-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.39
Rot. Bonds8

About ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate

ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate (PubChem CID 61001735) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate
PubChem CID61001735
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1ccc(O)c(OCC)c1
InChIInChI=1S/C16H23NO4/c1-3-20-14-9-12(7-8-13(14)18)15(16(19)21-4-2)17-10-11-5-6-11/h7-9,11,15,17-18H,3-6,10H2,1-2H3
InChIKeyHGKNPXYEFYKLTP-UHFFFAOYSA-N
XLogP2.39
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
CID 54894410
ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 61001864
ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
CID 107698194
methyl 2-(cyclopropylmethylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690278
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate
CID 54894498
2-(cyclopropylmethylamino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 54894829
methyl 2-(cyclopropylmethylamino)-2-(3,4-dibromophenyl)acetate
CID 114077398
methyl 2-(cyclopropylmethylamino)-2-(3,4-difluorophenyl)acetate
CID 54894261
4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol
CID 61054148
4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride
CID 171314179

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate (CID 61001735) is ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate is CCOC(=O)C(NCC1CC1)c1ccc(O)c(OCC)c1.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate?
The InChIKey is HGKNPXYEFYKLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-20-14-9-12(7-8-13(14)18)15(16(19)21-4-2)17-10-11-5-6-11/h7-9,11,15,17-18H,3-6,10H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate?
ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate has a molecular weight of 293.36 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate is sourced from PubChem (CID 61001735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).