[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid

C19H23NO4 — CID 138687817

IUPAC[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
SMILESCN(CCC(Oc1ccccc1CCO)c1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO4/c1-20(19(22)23)13-11-18(15-7-3-2-4-8-15)24-17-10-6-5-9-16(17)12-14-21/h2-10,18,21H,11-14H2,1H3,(H,22,23)
InChIKeyYMUYURIHLLPHRQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.34
Rot. Bonds8

About [3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid

[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid (PubChem CID 138687817) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid.

Molecular Properties

Compound Name[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
PubChem CID138687817
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
SMILESCN(CCC(Oc1ccccc1CCO)c1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO4/c1-20(19(22)23)13-11-18(15-7-3-2-4-8-15)24-17-10-6-5-9-16(17)12-14-21/h2-10,18,21H,11-14H2,1H3,(H,22,23)
InChIKeyYMUYURIHLLPHRQ-UHFFFAOYSA-N
XLogP3.34
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine;oxalic acid
CID 12807425
N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 142700885
2-[2-(1-phenylethoxy)phenyl]ethanol
CID 107713134
[(3R)-3-(5-bromo-2-cyanophenoxy)-3-phenylpropyl]-methylcarbamic acid
CID 70153210
2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
CID 101120687
[3-[2-[(1-benzylpiperidin-4-yl)methylamino]phenoxy]-3-phenylpropyl]-methylcarbamic acid
CID 146308622
N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine
CID 143896627
(3S)-3-[2-(2-hydroxyethyl)phenoxy]butanoic acid
CID 107711645
2-[2-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107713094
ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid?
The IUPAC name of [3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid (CID 138687817) is [3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid.
What is the SMILES notation for [3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid?
The canonical SMILES for [3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid is CN(CCC(Oc1ccccc1CCO)c1ccccc1)C(=O)O.
What is the InChIKey of [3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid?
The InChIKey is YMUYURIHLLPHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-20(19(22)23)13-11-18(15-7-3-2-4-8-15)24-17-10-6-5-9-16(17)12-14-21/h2-10,18,21H,11-14H2,1H3,(H,22,23).
What are the key properties of [3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid?
[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid has a molecular weight of 329.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid is sourced from PubChem (CID 138687817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).