ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate

C22H32N2O6 — CID 101292354

IUPACethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate
SMILESC=COCCc1cc(CCOC=C)c(CNC(=O)OCC)cc1CNC(=O)OCC
InChIInChI=1S/C22H32N2O6/c1-5-27-11-9-17-13-18(10-12-28-6-2)20(16-24-22(26)30-8-4)14-19(17)15-23-21(25)29-7-3/h5-6,13-14H,1-2,7-12,15-16H2,3-4H3,(H,23,25)(H,24,26)
InChIKeyPNZKVESOFDYFGB-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.58
Rot. Bonds14

About ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate

ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate (PubChem CID 101292354) has the molecular formula C22H32N2O6 and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate
PubChem CID101292354
Molecular FormulaC22H32N2O6
Molecular Weight420.51 g/mol
Exact Mass420.23
IUPAC Nameethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate
SMILESC=COCCc1cc(CCOC=C)c(CNC(=O)OCC)cc1CNC(=O)OCC
InChIInChI=1S/C22H32N2O6/c1-5-27-11-9-17-13-18(10-12-28-6-2)20(16-24-22(26)30-8-4)14-19(17)15-23-21(25)29-7-3/h5-6,13-14H,1-2,7-12,15-16H2,3-4H3,(H,23,25)(H,24,26)
InChIKeyPNZKVESOFDYFGB-UHFFFAOYSA-N
XLogP3.58
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate
CID 101292360
ethyl N-[(2,4,5-trifluorophenyl)methyl]carbamate;hydroiodide
CID 175284509
[2-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamic acid
CID 175218190
2,3,6,7,10,11-hexakis(2-ethenoxyethyl)triphenylene
CID 101369434
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
CID 110445074
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
ethyl N-[(4-chloro-2-nitrophenyl)methyl]carbamate
CID 71325587
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate (CID 101292354) is ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate is C=COCCc1cc(CCOC=C)c(CNC(=O)OCC)cc1CNC(=O)OCC.
What is the InChIKey of ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate?
The InChIKey is PNZKVESOFDYFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O6/c1-5-27-11-9-17-13-18(10-12-28-6-2)20(16-24-22(26)30-8-4)14-19(17)15-23-21(25)29-7-3/h5-6,13-14H,1-2,7-12,15-16H2,3-4H3,(H,23,25)(H,24,26).
What are the key properties of ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate?
ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate has a molecular weight of 420.51 g/mol, XLogP of 3.58, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 101292354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).