methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

C23H26N2O3 — CID 25068270

IUPACmethyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
SMILESCCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc3ccccc3c1)C2
InChIInChI=1S/C23H26N2O3/c1-3-12-24-23(27)25-18-10-11-20(25)21(22(26)28-2)19(14-18)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18,20H,3,10-12,14H2,1-2H3,(H,24,27)/t18-,20+/m0/s1
InChIKeyGDUYDYWUXQDNSI-AZUAARDMSA-N
MW378.47 g/mol
LogP4.12
Rot. Bonds4

About methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate (PubChem CID 25068270) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
PubChem CID25068270
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Namemethyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
SMILESCCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc3ccccc3c1)C2
InChIInChI=1S/C23H26N2O3/c1-3-12-24-23(27)25-18-10-11-20(25)21(22(26)28-2)19(14-18)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18,20H,3,10-12,14H2,1-2H3,(H,24,27)/t18-,20+/m0/s1
InChIKeyGDUYDYWUXQDNSI-AZUAARDMSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 1,6-dimethyl-4-(naphthalen-1-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2864411
methyl (1R,5S)-3-(3-fluoro-4-phenylphenyl)-8-(naphthalen-1-ylmethylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 44143874
2-Methoxyethyl 6-methyl-4-(naphthalen-1-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855241
Propyl 6-methyl-4-(naphthalen-1-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855016
Methyl 6-methyl-4-(naphthalen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2907505
methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 5461444
8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester
CID 10402966
methyl (1R,5S)-3-phenyl-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 24747322
(1R,5S)-methyl 3-(2,4-difluorophenyl)-8-(4-(trifluoromethyl)benzylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25067584
(1R,5S)-methyl 8-(cyclopropylcarbamoyl)-3-(naphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25067750
(1R,5S)-methyl 3-(naphthalen-2-yl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25067753
(1R,5S)-methyl 8-(4-fluorobenzylcarbamoyl)-3-(naphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25067807

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
The IUPAC name of methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate (CID 25068270) is methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate.
What is the SMILES notation for methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
The canonical SMILES for methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate is CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc3ccccc3c1)C2.
What is the InChIKey of methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
The InChIKey is GDUYDYWUXQDNSI-AZUAARDMSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-12-24-23(27)25-18-10-11-20(25)21(22(26)28-2)19(14-18)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18,20H,3,10-12,14H2,1-2H3,(H,24,27)/t18-,20+/m0/s1.
What are the key properties of methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5S)-3-naphthalen-2-yl-8-(propylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate is sourced from PubChem (CID 25068270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).