[(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate

C20H21NO5 — CID 67636605

IUPAC[(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate
SMILESCOC(=O)O[C@@]1(NC(=O)c2ccccc2)CCc2cccc(OC)c2C1
InChIInChI=1S/C20H21NO5/c1-24-17-10-6-9-14-11-12-20(13-16(14)17,26-19(23)25-2)21-18(22)15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3,(H,21,22)/t20-/m0/s1
InChIKeyCNZSJTVLLYXDQH-FQEVSTJZSA-N
MW355.39 g/mol
LogP3.09
Rot. Bonds4

About [(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate

[(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate (PubChem CID 67636605) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate.

Molecular Properties

Compound Name[(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate
PubChem CID67636605
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate
SMILESCOC(=O)O[C@@]1(NC(=O)c2ccccc2)CCc2cccc(OC)c2C1
InChIInChI=1S/C20H21NO5/c1-24-17-10-6-9-14-11-12-20(13-16(14)17,26-19(23)25-2)21-18(22)15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3,(H,21,22)/t20-/m0/s1
InChIKeyCNZSJTVLLYXDQH-FQEVSTJZSA-N
XLogP3.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58467113
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
(2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 15200028
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986
2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 105494487
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 105477816
(4-benzamidooxan-4-yl) acetate
CID 69498261
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294558

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate?
The IUPAC name of [(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate (CID 67636605) is [(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate.
What is the SMILES notation for [(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate?
The canonical SMILES for [(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate is COC(=O)O[C@@]1(NC(=O)c2ccccc2)CCc2cccc(OC)c2C1.
What is the InChIKey of [(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate?
The InChIKey is CNZSJTVLLYXDQH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21NO5/c1-24-17-10-6-9-14-11-12-20(13-16(14)17,26-19(23)25-2)21-18(22)15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3,(H,21,22)/t20-/m0/s1.
What are the key properties of [(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate?
[(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate has a molecular weight of 355.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate is sourced from PubChem (CID 67636605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).