(1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate

C15H22N2O4 — CID 175889460

IUPAC(1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate
SMILESCN1CCC(OC(=O)NCCOCc2ccc(O)cc2)C1
InChIInChI=1S/C15H22N2O4/c1-17-8-6-14(10-17)21-15(19)16-7-9-20-11-12-2-4-13(18)5-3-12/h2-5,14,18H,6-11H2,1H3,(H,16,19)
InChIKeyDKJYREOJMFHDGO-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.34
Rot. Bonds6

About (1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate

(1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate (PubChem CID 175889460) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate
PubChem CID175889460
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate
SMILESCN1CCC(OC(=O)NCCOCc2ccc(O)cc2)C1
InChIInChI=1S/C15H22N2O4/c1-17-8-6-14(10-17)21-15(19)16-7-9-20-11-12-2-4-13(18)5-3-12/h2-5,14,18H,6-11H2,1H3,(H,16,19)
InChIKeyDKJYREOJMFHDGO-UHFFFAOYSA-N
XLogP1.34
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate?
The IUPAC name of (1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate (CID 175889460) is (1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate is CN1CCC(OC(=O)NCCOCc2ccc(O)cc2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate?
The InChIKey is DKJYREOJMFHDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17-8-6-14(10-17)21-15(19)16-7-9-20-11-12-2-4-13(18)5-3-12/h2-5,14,18H,6-11H2,1H3,(H,16,19).
What are the key properties of (1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate?
(1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate is sourced from PubChem (CID 175889460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).