ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

C18H27NO5 — CID 156747138

IUPACethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCOc1ccc(C)cc1.CC
InChIInChI=1S/C16H21NO5.C2H6/c1-12(2)15(18)21-9-8-17-16(19)22-11-10-20-14-6-4-13(3)5-7-14;1-2/h4-7H,1,8-11H2,2-3H3,(H,17,19);1-2H3
InChIKeyIGCCZMFZCKYXFD-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.25
Rot. Bonds8

About ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 156747138) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID156747138
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Nameethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCOc1ccc(C)cc1.CC
InChIInChI=1S/C16H21NO5.C2H6/c1-12(2)15(18)21-9-8-17-16(19)22-11-10-20-14-6-4-13(3)5-7-14;1-2/h4-7H,1,8-11H2,2-3H3,(H,17,19);1-2H3
InChIKeyIGCCZMFZCKYXFD-UHFFFAOYSA-N
XLogP3.25
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[2-[4-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 59378635
2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58004900
2-[2-[4-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]ethoxy]phenyl]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118331491
3-[2-[4-[2-[3-(2-methylprop-2-enoyloxy)propylcarbamoyloxy]ethoxy]phenyl]ethoxycarbonylamino]propyl 2-methylprop-2-enoate
CID 118331503
2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 135250995
2-[2-[2-(3,5-dibromophenoxy)ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 56976207
2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 57069602
2-[2-[4-[1-(4-cyclohexylphenyl)-1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]phenyl]ethyl]phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 145446970
2-[[4-[[4-[bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenyl]-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 90224731
2-[(4-ethylphenoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 143902345
2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
CID 70603305
2-[3-(3-methylphenyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 130199618

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 156747138) is ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCOc1ccc(C)cc1.CC.
What is the InChIKey of ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is IGCCZMFZCKYXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5.C2H6/c1-12(2)15(18)21-9-8-17-16(19)22-11-10-20-14-6-4-13(3)5-7-14;1-2/h4-7H,1,8-11H2,2-3H3,(H,17,19);1-2H3.
What are the key properties of ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 337.42 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 156747138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).