ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate

C33H32N2O6 — CID 140519929

IUPACethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate
SMILESCCOC(=O)CN(Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)Oc1ccc(OC)cc1
InChIInChI=1S/C33H32N2O6/c1-3-39-32(36)23-34(33(37)41-27-18-16-25(38-2)17-19-27)22-24-12-14-26(15-13-24)40-21-20-35-30-10-6-4-8-28(30)29-9-5-7-11-31(29)35/h4-19H,3,20-23H2,1-2H3
InChIKeyLLTWFWNYQYBCSP-UHFFFAOYSA-N
MW552.63 g/mol
LogP6.45
Rot. Bonds11

About ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate

ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate (PubChem CID 140519929) has the molecular formula C33H32N2O6 and a molecular weight of 552.63 g/mol. Its IUPAC name is ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate
PubChem CID140519929
Molecular FormulaC33H32N2O6
Molecular Weight552.63 g/mol
Exact Mass552.23
IUPAC Nameethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate
SMILESCCOC(=O)CN(Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)Oc1ccc(OC)cc1
InChIInChI=1S/C33H32N2O6/c1-3-39-32(36)23-34(33(37)41-27-18-16-25(38-2)17-19-27)22-24-12-14-26(15-13-24)40-21-20-35-30-10-6-4-8-28(30)29-9-5-7-11-31(29)35/h4-19H,3,20-23H2,1-2H3
InChIKeyLLTWFWNYQYBCSP-UHFFFAOYSA-N
XLogP6.45
TPSA79.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate with MolForge

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Related Compounds

2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxybenzoyl)amino]acetic acid
CID 141127915
ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate
CID 15942246
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
ethyl 2-[(2,5-dichlorophenoxy)carbonyl-[[4-[2-(3-oxo-1,4-benzoxazin-4-yl)ethoxy]phenyl]methyl]amino]acetate
CID 15940387
2-[[4-[2-(3-ethyl-4-methyl-6-oxo-2-sulfanylidenepyrimidin-1-yl)ethoxy]phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetic acid
CID 87833880
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(3-oxo-1,4-benzoxazin-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 91425981
2-[(4-methoxyphenoxy)carbonyl-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 69439968
2-[[4-(2-indol-1-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
CID 11752418
ethyl 2-[benzyl-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]acetate
CID 110499098
2-[4-(2-carbazol-9-ylethoxy)phenyl]sulfanyl-2-methylbutanoic acid
CID 68953805
ethyl 2-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetate
CID 15942112
ethyl (2S)-2-ethoxy-3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoate
CID 11729721

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate?
The IUPAC name of ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate (CID 140519929) is ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate.
What is the SMILES notation for ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate?
The canonical SMILES for ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate is CCOC(=O)CN(Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)Oc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate?
The InChIKey is LLTWFWNYQYBCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O6/c1-3-39-32(36)23-34(33(37)41-27-18-16-25(38-2)17-19-27)22-24-12-14-26(15-13-24)40-21-20-35-30-10-6-4-8-28(30)29-9-5-7-11-31(29)35/h4-19H,3,20-23H2,1-2H3.
What are the key properties of ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate?
ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate has a molecular weight of 552.63 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate is sourced from PubChem (CID 140519929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).