ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate

C22H26N2O4 — CID 20798549

IUPACethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate
SMILESC=COCNc1ccc(C(C)(C)c2ccc(NC(=O)OCOC=C)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-5-26-15-23-19-11-7-17(8-12-19)22(3,4)18-9-13-20(14-10-18)24-21(25)28-16-27-6-2/h5-14,23H,1-2,15-16H2,3-4H3,(H,24,25)
InChIKeyDMYOKMFJNXODAZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.21
Rot. Bonds10

About ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate

ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate (PubChem CID 20798549) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate
PubChem CID20798549
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nameethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate
SMILESC=COCNc1ccc(C(C)(C)c2ccc(NC(=O)OCOC=C)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-5-26-15-23-19-11-7-17(8-12-19)22(3,4)18-9-13-20(14-10-18)24-21(25)28-16-27-6-2/h5-14,23H,1-2,15-16H2,3-4H3,(H,24,25)
InChIKeyDMYOKMFJNXODAZ-UHFFFAOYSA-N
XLogP5.21
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 102027973
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide
CID 153321957
tris[4-[2-[4-(prop-2-enoylamino)phenyl]propan-2-yl]phenyl] phosphate
CID 91029809
prop-2-enyl N-[4-[[4-(prop-2-enoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 3455881
2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate
CID 20798540
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681
5-oxo-5-[4-[4-(2-phenylpropan-2-yl)phenoxy]anilino]pentanoic acid
CID 4178212
4-ethenoxybutyl N-[4-(4-ethenoxybutoxycarbonylamino)-2-methylphenyl]carbamate
CID 59319780
methyl 2-[4-(prop-2-enoxycarbonylamino)phenyl]acetate
CID 167022304

Frequently Asked Questions

What is the IUPAC name of ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate?
The IUPAC name of ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate (CID 20798549) is ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate.
What is the SMILES notation for ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate?
The canonical SMILES for ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate is C=COCNc1ccc(C(C)(C)c2ccc(NC(=O)OCOC=C)cc2)cc1.
What is the InChIKey of ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate?
The InChIKey is DMYOKMFJNXODAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-26-15-23-19-11-7-17(8-12-19)22(3,4)18-9-13-20(14-10-18)24-21(25)28-16-27-6-2/h5-14,23H,1-2,15-16H2,3-4H3,(H,24,25).
What are the key properties of ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate?
ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate has a molecular weight of 382.46 g/mol, XLogP of 5.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate is sourced from PubChem (CID 20798549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).