(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate

C24H32N2O6 — CID 67180754

IUPAC(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
SMILESCCOc1ccc(OC(=O)NCCCCCCNC(=O)Oc2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H32N2O6/c1-3-29-19-9-13-21(14-10-19)31-23(27)25-17-7-5-6-8-18-26-24(28)32-22-15-11-20(12-16-22)30-4-2/h9-16H,3-8,17-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPFFDEOKQQFEURD-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.92
Rot. Bonds13

About (4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate

(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate (PubChem CID 67180754) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is (4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate.

Molecular Properties

Compound Name(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
PubChem CID67180754
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
SMILESCCOc1ccc(OC(=O)NCCCCCCNC(=O)Oc2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H32N2O6/c1-3-29-19-9-13-21(14-10-19)31-23(27)25-17-7-5-6-8-18-26-24(28)32-22-15-11-20(12-16-22)30-4-2/h9-16H,3-8,17-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPFFDEOKQQFEURD-UHFFFAOYSA-N
XLogP4.92
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid
CID 95462842
methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate
CID 2834246
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
[4-[4-(decylcarbamoyloxy)phenyl]sulfonylphenyl] N-decylcarbamate
CID 102112450
methyl 4-(hexylcarbamoyloxy)benzoate
CID 42646580
N-decyl-4-ethoxybenzamide
CID 4123784
(4-aminophenyl) N-butylcarbamate
CID 126552960
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
6-[(4-ethoxyphenoxy)methylcarbamoylamino]hexanoic acid
CID 108890677
6-[(4-methylsulfanylphenoxy)carbonylamino]hexanoic acid
CID 10780347
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
[4-[[3,5-bis[[4-(butylcarbamoyloxy)phenyl]methyl]phenyl]methyl]phenyl] N-butylcarbamate
CID 101189990

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate?
The IUPAC name of (4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate (CID 67180754) is (4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate.
What is the SMILES notation for (4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate?
The canonical SMILES for (4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate is CCOc1ccc(OC(=O)NCCCCCCNC(=O)Oc2ccc(OCC)cc2)cc1.
What is the InChIKey of (4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate?
The InChIKey is PFFDEOKQQFEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6/c1-3-29-19-9-13-21(14-10-19)31-23(27)25-17-7-5-6-8-18-26-24(28)32-22-15-11-20(12-16-22)30-4-2/h9-16H,3-8,17-18H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of (4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate?
(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate has a molecular weight of 444.53 g/mol, XLogP of 4.92, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate is sourced from PubChem (CID 67180754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).