(3-methoxypropylamino) phenyl carbonate

C11H15NO4 — CID 142793744

IUPAC(3-methoxypropylamino) phenyl carbonate
SMILESCOCCCNOC(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO4/c1-14-9-5-8-12-16-11(13)15-10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3
InChIKeyUCQPDWBNBZTIJQ-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.74
Rot. Bonds6

About (3-methoxypropylamino) phenyl carbonate

(3-methoxypropylamino) phenyl carbonate (PubChem CID 142793744) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (3-methoxypropylamino) phenyl carbonate.

Molecular Properties

Compound Name(3-methoxypropylamino) phenyl carbonate
PubChem CID142793744
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(3-methoxypropylamino) phenyl carbonate
SMILESCOCCCNOC(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO4/c1-14-9-5-8-12-16-11(13)15-10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3
InChIKeyUCQPDWBNBZTIJQ-UHFFFAOYSA-N
XLogP1.74
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

phenyl N-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992564
diphenyl carbonate;ethoxyethane
CID 67230205
3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
5-methoxy-1-phenoxypentan-2-one
CID 115601921
methyl (4-phenoxyphenyl) carbonate
CID 19704468
3-methoxy-N-phenylmethoxypropan-1-amine
CID 64974237
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995

Frequently Asked Questions

What is the IUPAC name of (3-methoxypropylamino) phenyl carbonate?
The IUPAC name of (3-methoxypropylamino) phenyl carbonate (CID 142793744) is (3-methoxypropylamino) phenyl carbonate.
What is the SMILES notation for (3-methoxypropylamino) phenyl carbonate?
The canonical SMILES for (3-methoxypropylamino) phenyl carbonate is COCCCNOC(=O)Oc1ccccc1.
What is the InChIKey of (3-methoxypropylamino) phenyl carbonate?
The InChIKey is UCQPDWBNBZTIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-14-9-5-8-12-16-11(13)15-10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3.
What are the key properties of (3-methoxypropylamino) phenyl carbonate?
(3-methoxypropylamino) phenyl carbonate has a molecular weight of 225.24 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypropylamino) phenyl carbonate is sourced from PubChem (CID 142793744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).