[(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate

C19H23NO5 — CID 23808265

IUPAC[(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H](CCCO)c1ccc(OCCO)cc1
InChIInChI=1S/C19H23NO5/c21-12-4-7-18(15-8-10-17(11-9-15)24-14-13-22)25-19(23)20-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,21-22H,4,7,12-14H2,(H,20,23)/t18-/m1/s1
InChIKeyHJDRLLGUHFMDMF-GOSISDBHSA-N
MW345.40 g/mol
LogP3.12
Rot. Bonds9

About [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate

[(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate (PubChem CID 23808265) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate
PubChem CID23808265
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name[(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H](CCCO)c1ccc(OCCO)cc1
InChIInChI=1S/C19H23NO5/c21-12-4-7-18(15-8-10-17(11-9-15)24-14-13-22)25-19(23)20-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,21-22H,4,7,12-14H2,(H,20,23)/t18-/m1/s1
InChIKeyHJDRLLGUHFMDMF-GOSISDBHSA-N
XLogP3.12
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate 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

[(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate
CID 23836660
[(1S)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-(1,3-benzodioxol-5-yl)carbamate
CID 23948849
[(3R,4R)-4-[4-(2-hydroxyethoxy)phenyl]-3-methyl-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate
CID 23750212
(E,6S,7S)-7-[4-(2-hydroxyethoxy)phenyl]-6-phenoxy-7-(phenylcarbamoyloxy)hept-2-enoic acid
CID 23948948
(E,6S,7S)-6-ethoxy-7-[4-(2-hydroxyethoxy)phenyl]-7-(phenylcarbamoyloxy)hept-2-enoic acid
CID 23893094
[(1S,4E,6E)-8-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-6-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate
CID 23874719
[(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-[3-(2-hydroxyethoxy)phenyl]butyl] 2-sulfanylacetate
CID 23808165
[(1S,2S)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methoxybutyl] N-(4-bromophenyl)carbamate
CID 23808312
[(1R,3E,5E)-7-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-7-oxohepta-3,5-dienyl] N-(4-methoxyphenyl)carbamate
CID 23818160
[(1R,2R)-2-ethoxy-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-(4-methylphenyl)carbamate
CID 23779245
(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride
CID 3056701
[(E,1R,2R)-5-(2-aminoanilino)-2-ethoxy-1-[4-(2-hydroxyethoxy)phenyl]-5-oxopent-3-enyl] N-phenylcarbamate
CID 23921063

Frequently Asked Questions

What is the IUPAC name of [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate?
The IUPAC name of [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate (CID 23808265) is [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate.
What is the SMILES notation for [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate?
The canonical SMILES for [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@H](CCCO)c1ccc(OCCO)cc1.
What is the InChIKey of [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate?
The InChIKey is HJDRLLGUHFMDMF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO5/c21-12-4-7-18(15-8-10-17(11-9-15)24-14-13-22)25-19(23)20-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,21-22H,4,7,12-14H2,(H,20,23)/t18-/m1/s1.
What are the key properties of [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate?
[(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate has a molecular weight of 345.40 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate is sourced from PubChem (CID 23808265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).