[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate

C32H34N2O5 — CID 138475722

IUPAC[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate
SMILESCC1(C)CC(OC(N)=O)CC(C)(CNC(=O)Oc2ccc3ccccc3c2-c2c(O)ccc3ccccc23)C1
InChIInChI=1S/C32H34N2O5/c1-31(2)16-22(38-29(33)36)17-32(3,18-31)19-34-30(37)39-26-15-13-21-9-5-7-11-24(21)28(26)27-23-10-6-4-8-20(23)12-14-25(27)35/h4-15,22,35H,16-19H2,1-3H3,(H2,33,36)(H,34,37)
InChIKeyLZDVJFXZYRYGAR-UHFFFAOYSA-N
MW526.63 g/mol
LogP7.13
Rot. Bonds5

About [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate

[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate (PubChem CID 138475722) has the molecular formula C32H34N2O5 and a molecular weight of 526.63 g/mol. Its IUPAC name is [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate.

Molecular Properties

Compound Name[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate
PubChem CID138475722
Molecular FormulaC32H34N2O5
Molecular Weight526.63 g/mol
Exact Mass526.25
IUPAC Name[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate
SMILESCC1(C)CC(OC(N)=O)CC(C)(CNC(=O)Oc2ccc3ccccc3c2-c2c(O)ccc3ccccc23)C1
InChIInChI=1S/C32H34N2O5/c1-31(2)16-22(38-29(33)36)17-32(3,18-31)19-34-30(37)39-26-15-13-21-9-5-7-11-24(21)28(26)27-23-10-6-4-8-20(23)12-14-25(27)35/h4-15,22,35H,16-19H2,1-3H3,(H2,33,36)(H,34,37)
InChIKeyLZDVJFXZYRYGAR-UHFFFAOYSA-N
XLogP7.13
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 57.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Butyl-carbamic acid 2''-hydroxy-[1,1'']binaphthalenyl-2-yl ester
CID 10317928
Butyl-carbamic acid 2''-butylcarbamoyloxy-[1,1'']binaphthalenyl-2-yl ester
CID 44361062
[2-[1-[4-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyloxy]phenyl]propan-2-yl]phenyl] N-(2-naphthalen-2-ylethyl)carbamate
CID 123854291
(E)-5-[[1-[2-[[(E)-4-carboxypent-3-enyl]carbamoyloxy]-6-fluoronaphthalen-1-yl]naphthalen-2-yl]oxycarbonylamino]-2-methylpent-2-enoic acid
CID 135314643
[1-[2-(ethylcarbamoyloxy)-6-fluoronaphthalen-1-yl]-6-fluoronaphthalen-2-yl] N-ethylcarbamate
CID 173735918
[1-[2-(ethylcarbamoyloxy)-6-fluoronaphthalen-1-yl]naphthalen-2-yl] N-ethylcarbamate
CID 173735920
5-[[1-[2-(4-Carboxybut-3-enylcarbamoyloxy)-6-fluoronaphthalen-1-yl]naphthalen-2-yl]oxycarbonylamino]pent-2-enoic acid
CID 175733689
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate
CID 11794494
benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate
CID 139241977
benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate
CID 139241978
Polymorph of Agometaline-hydroquinone (1:1) cocrystal
CID 168308469
(4Bs)-1-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl phenethylcarbamate
CID 168377152

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate?
The IUPAC name of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate (CID 138475722) is [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate.
What is the SMILES notation for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate?
The canonical SMILES for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate is CC1(C)CC(OC(N)=O)CC(C)(CNC(=O)Oc2ccc3ccccc3c2-c2c(O)ccc3ccccc23)C1.
What is the InChIKey of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate?
The InChIKey is LZDVJFXZYRYGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O5/c1-31(2)16-22(38-29(33)36)17-32(3,18-31)19-34-30(37)39-26-15-13-21-9-5-7-11-24(21)28(26)27-23-10-6-4-8-20(23)12-14-25(27)35/h4-15,22,35H,16-19H2,1-3H3,(H2,33,36)(H,34,37).
What are the key properties of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate?
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate has a molecular weight of 526.63 g/mol, XLogP of 7.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-[(5-carbamoyloxy-1,3,3-trimethylcyclohexyl)methyl]carbamate is sourced from PubChem (CID 138475722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).