(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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Related Compounds

4-(2,2,3-Trimethyl-1,3-oxazolidin-5-yl)phenol
CID 204759
5-(4-Methoxyphenyl)-1,3-oxazolidin-2-one
CID 14110503
5-[[4-(Hydroxymethyl)phenoxy]methyl]-3-(1-methylethyl)-2-oxazolidinone
CID 13783411
tert-butyl N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate
CID 15631602
(4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)oxazolidin-2-one
CID 53362228
(4R,5R)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 101245139
(2,2-Difluoro-3-hydroxypropyl)carbamic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol
CID 176952111
Carbamic acid, [2-hydroxy-2-(4-methoxyphenyl)ethyl]-, 1,1-dimethylethyl ester
CID 15631601
3-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one
CID 61773263
tert-butyl N-[(3E,4E)-7-ethyl-6-hydroxy-3-[3-[(4-methoxyphenyl)methoxy]propylidene]nona-4,8-dienyl]carbamate
CID 134831934
(4R)-4-[(1R,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one
CID 139252368
(4S)-4-[(1S,2R)-1-hydroxy-2-[(4-methoxyphenyl)methoxy]pentyl]-1,3-oxazolidin-2-one
CID 139252375

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).