[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate

C20H24N2O6 — CID 70350686

IUPAC[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate
SMILESCC(CCOC(=O)Nc1ccc(O)cc1)CCOC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C20H24N2O6/c1-14(10-12-27-19(25)21-15-2-6-17(23)7-3-15)11-13-28-20(26)22-16-4-8-18(24)9-5-16/h2-9,14,23-24H,10-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyWWQKZQLWVOTGMT-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.31
Rot. Bonds8

About [5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate

[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate (PubChem CID 70350686) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is [5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate
PubChem CID70350686
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate
SMILESCC(CCOC(=O)Nc1ccc(O)cc1)CCOC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C20H24N2O6/c1-14(10-12-27-19(25)21-15-2-6-17(23)7-3-15)11-13-28-20(26)22-16-4-8-18(24)9-5-16/h2-9,14,23-24H,10-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyWWQKZQLWVOTGMT-UHFFFAOYSA-N
XLogP4.31
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutyl N-(4-aminophenyl)carbamate;hydrochloride
CID 24836337
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
3-methylbutyl N-phenylcarbamate
CID 69480810
[(3R,5S)-6-[(4-bromophenyl)carbamoyloxy]-5-methoxy-3-methylhexyl] N-(4-bromophenyl)carbamate
CID 102273593
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
[4-(2-aminoethoxycarbonylamino)phenyl]methyl 2-methylpropanoate;ethane;molecular hydrogen
CID 144997523
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236

Frequently Asked Questions

What is the IUPAC name of [5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate?
The IUPAC name of [5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate (CID 70350686) is [5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate.
What is the SMILES notation for [5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate?
The canonical SMILES for [5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate is CC(CCOC(=O)Nc1ccc(O)cc1)CCOC(=O)Nc1ccc(O)cc1.
What is the InChIKey of [5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate?
The InChIKey is WWQKZQLWVOTGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-14(10-12-27-19(25)21-15-2-6-17(23)7-3-15)11-13-28-20(26)22-16-4-8-18(24)9-5-16/h2-9,14,23-24H,10-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of [5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate?
[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate has a molecular weight of 388.42 g/mol, XLogP of 4.31, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate is sourced from PubChem (CID 70350686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).