[3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate

C23H37NO7 — CID 134387319

IUPAC[3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate
SMILESCOc1ccccc1OCC(COC(N)=O)OC(C)(C)C(=O)CCCCCOC(C)C
InChIInChI=1S/C23H37NO7/c1-17(2)28-14-10-6-7-13-21(25)23(3,4)31-18(16-30-22(24)26)15-29-20-12-9-8-11-19(20)27-5/h8-9,11-12,17-18H,6-7,10,13-16H2,1-5H3,(H2,24,26)
InChIKeyACPQRFHJCZHRKU-UHFFFAOYSA-N
MW439.55 g/mol
LogP3.89
Rot. Bonds16

About [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate

[3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate (PubChem CID 134387319) has the molecular formula C23H37NO7 and a molecular weight of 439.55 g/mol. Its IUPAC name is [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate.

Molecular Properties

Compound Name[3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate
PubChem CID134387319
Molecular FormulaC23H37NO7
Molecular Weight439.55 g/mol
Exact Mass439.26
IUPAC Name[3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate
SMILESCOc1ccccc1OCC(COC(N)=O)OC(C)(C)C(=O)CCCCCOC(C)C
InChIInChI=1S/C23H37NO7/c1-17(2)28-14-10-6-7-13-21(25)23(3,4)31-18(16-30-22(24)26)15-29-20-12-9-8-11-19(20)27-5/h8-9,11-12,17-18H,6-7,10,13-16H2,1-5H3,(H2,24,26)
InChIKeyACPQRFHJCZHRKU-UHFFFAOYSA-N
XLogP3.89
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] 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

11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide
CID 119606391
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
1-O-decyl 7-O-(2-methoxyphenyl) heptanedioate
CID 91712325
4-(2-methoxyphenoxy)butanoyl chloride
CID 82041131
3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 91518700
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 9172862

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate?
The IUPAC name of [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate (CID 134387319) is [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate.
What is the SMILES notation for [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate?
The canonical SMILES for [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate is COc1ccccc1OCC(COC(N)=O)OC(C)(C)C(=O)CCCCCOC(C)C.
What is the InChIKey of [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate?
The InChIKey is ACPQRFHJCZHRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO7/c1-17(2)28-14-10-6-7-13-21(25)23(3,4)31-18(16-30-22(24)26)15-29-20-12-9-8-11-19(20)27-5/h8-9,11-12,17-18H,6-7,10,13-16H2,1-5H3,(H2,24,26).
What are the key properties of [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate?
[3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate has a molecular weight of 439.55 g/mol, XLogP of 3.89, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenoxy)-2-(2-methyl-3-oxo-8-propan-2-yloxyoctan-2-yl)oxypropyl] carbamate is sourced from PubChem (CID 134387319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).