(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride

C18H21ClN2O3 — CID 13067471

IUPAC(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride
SMILESCl.NC(=O)c1c(OCc2ccccc2)ccc2c1CC[C@@H](N)[C@@H]2O
InChIInChI=1S/C18H20N2O3.ClH/c19-14-8-6-12-13(17(14)21)7-9-15(16(12)18(20)22)23-10-11-4-2-1-3-5-11;/h1-5,7,9,14,17,21H,6,8,10,19H2,(H2,20,22);1H/t14-,17-;/m1./s1
InChIKeyPDLPPOBBAGULSM-SATBOSKTSA-N
MW348.83 g/mol
LogP2.09
Rot. Bonds4

About (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride

(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride (PubChem CID 13067471) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride
PubChem CID13067471
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride
SMILESCl.NC(=O)c1c(OCc2ccccc2)ccc2c1CC[C@@H](N)[C@@H]2O
InChIInChI=1S/C18H20N2O3.ClH/c19-14-8-6-12-13(17(14)21)7-9-15(16(12)18(20)22)23-10-11-4-2-1-3-5-11;/h1-5,7,9,14,17,21H,6,8,10,19H2,(H2,20,22);1H/t14-,17-;/m1./s1
InChIKeyPDLPPOBBAGULSM-SATBOSKTSA-N
XLogP2.09
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride with MolForge

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Related Compounds

benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride
CID 21425537
methyl 6-(tert-butylamino)-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 21425625
5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide
CID 13067348
2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13274742
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
5-[benzyl(methyl)amino]-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol;oxalic acid
CID 21425573
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 86886993
5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13286542
N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide
CID 15859300
1-[2-(2-phenylmethoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 119125469
5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione
CID 90909409
1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea
CID 57015699

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride?
The IUPAC name of (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride (CID 13067471) is (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride is Cl.NC(=O)c1c(OCc2ccccc2)ccc2c1CC[C@@H](N)[C@@H]2O.
What is the InChIKey of (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride?
The InChIKey is PDLPPOBBAGULSM-SATBOSKTSA-N. The full InChI is InChI=1S/C18H20N2O3.ClH/c19-14-8-6-12-13(17(14)21)7-9-15(16(12)18(20)22)23-10-11-4-2-1-3-5-11;/h1-5,7,9,14,17,21H,6,8,10,19H2,(H2,20,22);1H/t14-,17-;/m1./s1.
What are the key properties of (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride?
(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 13067471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).