benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride

C26H29ClN2O4 — CID 21425537

IUPACbenzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride
SMILESCN(C(=O)OCc1ccccc1)c1c(OCc2ccccc2)ccc2c1CCC(N)C2O.Cl
InChIInChI=1S/C26H28N2O4.ClH/c1-28(26(30)32-17-19-10-6-3-7-11-19)24-20-12-14-22(27)25(29)21(20)13-15-23(24)31-16-18-8-4-2-5-9-18;/h2-11,13,15,22,25,29H,12,14,16-17,27H2,1H3;1H
InChIKeyUEFLYZYTXWQJGD-UHFFFAOYSA-N
MW468.98 g/mol
LogP4.77
Rot. Bonds6

About benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride

benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride (PubChem CID 21425537) has the molecular formula C26H29ClN2O4 and a molecular weight of 468.98 g/mol. Its IUPAC name is benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride
PubChem CID21425537
Molecular FormulaC26H29ClN2O4
Molecular Weight468.98 g/mol
Exact Mass468.18
IUPAC Namebenzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride
SMILESCN(C(=O)OCc1ccccc1)c1c(OCc2ccccc2)ccc2c1CCC(N)C2O.Cl
InChIInChI=1S/C26H28N2O4.ClH/c1-28(26(30)32-17-19-10-6-3-7-11-19)24-20-12-14-22(27)25(29)21(20)13-15-23(24)31-16-18-8-4-2-5-9-18;/h2-11,13,15,22,25,29H,12,14,16-17,27H2,1H3;1H
InChIKeyUEFLYZYTXWQJGD-UHFFFAOYSA-N
XLogP4.77
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.98
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride with MolForge

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Related Compounds

(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 13067471
N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide
CID 21425514
5-[benzyl(methyl)amino]-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol;oxalic acid
CID 21425573
benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate
CID 146186944
methyl 6-(tert-butylamino)-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 21425625
2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13274742
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
CID 156800719
CID 156800719
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylcyclopentanecarboxamide
CID 9118265

Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride?
The IUPAC name of benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride (CID 21425537) is benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride.
What is the SMILES notation for benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride?
The canonical SMILES for benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride is CN(C(=O)OCc1ccccc1)c1c(OCc2ccccc2)ccc2c1CCC(N)C2O.Cl.
What is the InChIKey of benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride?
The InChIKey is UEFLYZYTXWQJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4.ClH/c1-28(26(30)32-17-19-10-6-3-7-11-19)24-20-12-14-22(27)25(29)21(20)13-15-23(24)31-16-18-8-4-2-5-9-18;/h2-11,13,15,22,25,29H,12,14,16-17,27H2,1H3;1H.
What are the key properties of benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride?
benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride has a molecular weight of 468.98 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride is sourced from PubChem (CID 21425537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).