ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate

C24H36N2O6 — CID 101292360

IUPACethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate
SMILESC=CCOCCc1cc(CNC(=O)OCC)cc(CNC(=O)OCC)c1CCOCC=C
InChIInChI=1S/C24H36N2O6/c1-5-11-29-13-9-20-15-19(17-25-23(27)31-7-3)16-21(18-26-24(28)32-8-4)22(20)10-14-30-12-6-2/h5-6,15-16H,1-2,7-14,17-18H2,3-4H3,(H,25,27)(H,26,28)
InChIKeyDMNXYVWMHPFWOF-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.67
Rot. Bonds16

About ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate

ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate (PubChem CID 101292360) has the molecular formula C24H36N2O6 and a molecular weight of 448.56 g/mol. Its IUPAC name is ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate
PubChem CID101292360
Molecular FormulaC24H36N2O6
Molecular Weight448.56 g/mol
Exact Mass448.26
IUPAC Nameethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate
SMILESC=CCOCCc1cc(CNC(=O)OCC)cc(CNC(=O)OCC)c1CCOCC=C
InChIInChI=1S/C24H36N2O6/c1-5-11-29-13-9-20-15-19(17-25-23(27)31-7-3)16-21(18-26-24(28)32-8-4)22(20)10-14-30-12-6-2/h5-6,15-16H,1-2,7-14,17-18H2,3-4H3,(H,25,27)(H,26,28)
InChIKeyDMNXYVWMHPFWOF-UHFFFAOYSA-N
XLogP3.67
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[[2,4-bis(2-ethenoxyethyl)-5-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate
CID 101292354
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl N-[(2,4,5-trifluorophenyl)methyl]carbamate;hydroiodide
CID 175284509
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
ethyl N-[(3,4-diaminophenyl)methyl]carbamate
CID 130366044
prop-2-enyl N-[(3-bromo-4-methylphenyl)methyl]carbamate
CID 155887479
[2-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamic acid
CID 175218190
ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate
CID 58780499
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
prop-2-enyl N-[[4-[(3-amino-3-oxopropoxy)methyl]phenyl]methyl]carbamate
CID 123602498
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate (CID 101292360) is ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate is C=CCOCCc1cc(CNC(=O)OCC)cc(CNC(=O)OCC)c1CCOCC=C.
What is the InChIKey of ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate?
The InChIKey is DMNXYVWMHPFWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O6/c1-5-11-29-13-9-20-15-19(17-25-23(27)31-7-3)16-21(18-26-24(28)32-8-4)22(20)10-14-30-12-6-2/h5-6,15-16H,1-2,7-14,17-18H2,3-4H3,(H,25,27)(H,26,28).
What are the key properties of ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate?
ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate has a molecular weight of 448.56 g/mol, XLogP of 3.67, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[3-[(ethoxycarbonylamino)methyl]-4,5-bis(2-prop-2-enoxyethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 101292360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).