(4-docosoxyphenyl) N-methylcarbamate

C30H53NO3 — CID 172715138

IUPAC(4-docosoxyphenyl) N-methylcarbamate
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1ccc(OC(=O)NC)cc1
InChIInChI=1S/C30H53NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-33-28-23-25-29(26-24-28)34-30(32)31-2/h23-26H,3-22,27H2,1-2H3,(H,31,32)
InChIKeyFTKRAGIVIDFETA-UHFFFAOYSA-N
MW475.76 g/mol
LogP9.61
Rot. Bonds23

About (4-docosoxyphenyl) N-methylcarbamate

(4-docosoxyphenyl) N-methylcarbamate (PubChem CID 172715138) has the molecular formula C30H53NO3 and a molecular weight of 475.76 g/mol. Its IUPAC name is (4-docosoxyphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(4-docosoxyphenyl) N-methylcarbamate
PubChem CID172715138
Molecular FormulaC30H53NO3
Molecular Weight475.76 g/mol
Exact Mass475.40
IUPAC Name(4-docosoxyphenyl) N-methylcarbamate
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1ccc(OC(=O)NC)cc1
InChIInChI=1S/C30H53NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-33-28-23-25-29(26-24-28)34-30(32)31-2/h23-26H,3-22,27H2,1-2H3,(H,31,32)
InChIKeyFTKRAGIVIDFETA-UHFFFAOYSA-N
XLogP9.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.76
LogP ≤ 59.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-docosoxyphenyl) N-methylcarbamate 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

4-heptoxy-N-methylbenzamide
CID 3291691
bis(4-hexoxyphenyl) (E)-but-2-enedioate
CID 21029008
(4-decoxyphenyl) 4-[7-[4-(4-decoxyphenoxy)carbonylphenoxy]heptoxy]benzoate
CID 102342037
[4-(4-undecoxybenzoyl)oxyphenyl] 4-undecoxybenzoate
CID 101367520
(4-heptoxyphenyl) 4-heptoxybenzoate
CID 71365288
[4-(4-octoxybenzoyl)oxyphenyl] 4-pentoxybenzoate
CID 100939275
(4-pentoxyphenyl) 4-hexoxybenzoate
CID 86218202
(4-hexoxyphenyl) 4-nonoxybenzoate
CID 14993431
(4-butoxyphenyl) 4-undecoxybenzoate
CID 21079902
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(4-hexoxyphenyl) prop-2-enoate
CID 71357716

Frequently Asked Questions

What is the IUPAC name of (4-docosoxyphenyl) N-methylcarbamate?
The IUPAC name of (4-docosoxyphenyl) N-methylcarbamate (CID 172715138) is (4-docosoxyphenyl) N-methylcarbamate.
What is the SMILES notation for (4-docosoxyphenyl) N-methylcarbamate?
The canonical SMILES for (4-docosoxyphenyl) N-methylcarbamate is CCCCCCCCCCCCCCCCCCCCCCOc1ccc(OC(=O)NC)cc1.
What is the InChIKey of (4-docosoxyphenyl) N-methylcarbamate?
The InChIKey is FTKRAGIVIDFETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-33-28-23-25-29(26-24-28)34-30(32)31-2/h23-26H,3-22,27H2,1-2H3,(H,31,32).
What are the key properties of (4-docosoxyphenyl) N-methylcarbamate?
(4-docosoxyphenyl) N-methylcarbamate has a molecular weight of 475.76 g/mol, XLogP of 9.61, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-docosoxyphenyl) N-methylcarbamate is sourced from PubChem (CID 172715138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).