6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate

C24H29NO5 — CID 19939699

IUPAC6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)NC(=O)OCCCCCCOc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H29NO5/c1-18(2)23(26)25-24(27)30-17-7-5-4-6-16-29-22-14-10-20(11-15-22)19-8-12-21(28-3)13-9-19/h8-15H,1,4-7,16-17H2,2-3H3,(H,25,26,27)
InChIKeySKJVJCQYIFOLSA-UHFFFAOYSA-N
MW411.50 g/mol
LogP5.13
Rot. Bonds11

About 6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate

6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate (PubChem CID 19939699) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate
PubChem CID19939699
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)NC(=O)OCCCCCCOc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H29NO5/c1-18(2)23(26)25-24(27)30-17-7-5-4-6-16-29-22-14-10-20(11-15-22)19-8-12-21(28-3)13-9-19/h8-15H,1,4-7,16-17H2,2-3H3,(H,25,26,27)
InChIKeySKJVJCQYIFOLSA-UHFFFAOYSA-N
XLogP5.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 55.13
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

5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
6-[4-[4-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxybutoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 170647391
6-[4-(4-methoxyphenyl)phenoxy]hexyl 2-methylbutanoate
CID 22983350
5-[5-[4-(4-methoxyphenyl)phenoxy]pentoxy]benzene-1,3-dicarboxylic acid
CID 100977518
8-(4-methylphenoxy)octyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019571
benzoic acid;6-(4-phenylphenoxy)hexyl 2-methylprop-2-enoate
CID 162035072
7-[4-[7-(3-oxobutanoyloxy)heptoxy]phenoxy]heptyl 3-oxobutanoate
CID 53343847
methyl 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate
CID 58785408
6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 100959401
6-[4-[5-[5-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexyl 2-methylprop-2-enoate
CID 59207320
11-[4-[4-(2-methylbutoxy)phenyl]phenoxy]undecyl 2-methylprop-2-enoate
CID 101004555
methyl 4-[4-(8-bromooctoxy)phenyl]benzoate
CID 21182253

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate?
The IUPAC name of 6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate (CID 19939699) is 6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate?
The canonical SMILES for 6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate is C=C(C)C(=O)NC(=O)OCCCCCCOc1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate?
The InChIKey is SKJVJCQYIFOLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-18(2)23(26)25-24(27)30-17-7-5-4-6-16-29-22-14-10-20(11-15-22)19-8-12-21(28-3)13-9-19/h8-15H,1,4-7,16-17H2,2-3H3,(H,25,26,27).
What are the key properties of 6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate?
6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate has a molecular weight of 411.50 g/mol, XLogP of 5.13, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)phenoxy]hexyl N-(2-methylprop-2-enoyl)carbamate is sourced from PubChem (CID 19939699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).